N039-0044 Screening compound: (8R,12aS)-10-hydroxy-1,1,7a,8,12a-pentamethyl-2-(pentopyranosyloxy)octadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-13-yl hexopyranoside

N039-0044 Screening compound: (8R,12aS)-10-hydroxy-1,1,7a,8,12a-pentamethyl-2-(pentopyranosyloxy)octadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-13-yl hexopyranoside
N039-0044 Screening compound: (8R,12aS)-10-hydroxy-1,1,7a,8,12a-pentamethyl-2-(pentopyranosyloxy)octadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-13-yl hexopyranoside alternative view

Chemical Structure Depiction of ChemDiv screening compound N039-0044
(8R,12aS)-10-hydroxy-1,1,7a,8,12a-pentamethyl-2-(pentopyranosyloxy)octadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-13-yl hexopyranoside

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

N039-0044

Molecular Formula

C37H60O13 (C37 H60 O13)

Compound Name

(8R,12aS)-10-hydroxy-1,1,7a,8,12a-pentamethyl-2-(pentopyranosyloxy)octadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-13-yl hexopyranoside

IUPAC name

2-{[(6R12S)-8-hydroxy-46121717-pentamethyl-18-[(345-trihydroxyoxan-2-yl)oxy]-9-oxahexacyclo[11.9.0.0^{121}.0^{412}.0^{510}.0^{1621}]docosan-14-yl]oxy}-6-(hydroxymethyl)oxane-345-triol

SMILES

C[C@H](CC(O)OC1C2)C1C(C)(CC1)[C@]2(C)C(C(C2)OC(C(C3O)O)OC(CO)C3O)C1(C1)C1(CC1)C2C(C)(C)C1OC(C(C1O)O)OCC1O

InChI

InChI=1S/C37H60O13/c1-16-10-23(40)47-19-12-35(5)30-18(48-32-29(45)27(43)26(42)20(13-38)49-32)11-21-33(2,3)22(50-31-28(44)25(41)17(39)14-46-31)6-7-36(21)15-37(30,36)9-8-34(35,4)24(16)19/h16-32,38-45H,6-15H2,1-5H3/t16-,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,34?,35+,36?,37?/m1/s1

InChI Key

RFRQHBOLMUEMMH-IGSWCADISA-N

MDL Number (MFCD)

MFCD02657232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

712.88

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

8.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

0.762

Distribution Coefficient, logD

0.762

Water Solubility, LogSw

-1.54

Polar Surface Area

167.725

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

21.00

Percent sp3 carbon bonding

100.00

N039-0044 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with N039-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N039-0044?
Check Price and Availability of N039-0044, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of N039-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N039-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N039-0044
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of N039-0044 available by request