N008-0008 Screening compound: (2alpha,5alpha)-2-hydroxyspirostan-3-yl hexopyranosyl-(1->2)hexopyranosyl-(1->4)hexopyranoside

N008-0008 Screening compound: (2alpha,5alpha)-2-hydroxyspirostan-3-yl hexopyranosyl-(1->2)hexopyranosyl-(1->4)hexopyranoside
N008-0008 Screening compound: (2alpha,5alpha)-2-hydroxyspirostan-3-yl hexopyranosyl-(1->2)hexopyranosyl-(1->4)hexopyranoside alternative view

Chemical Structure Depiction of ChemDiv screening compound N008-0008
(2alpha,5alpha)-2-hydroxyspirostan-3-yl hexopyranosyl-(1->2)hexopyranosyl-(1->4)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

N008-0008

Molecular Formula

C45H74O19 (C45 H74 O19)

Compound Name

(2alpha,5alpha)-2-hydroxyspirostan-3-yl hexopyranosyl-(1->2)hexopyranosyl-(1->4)hexopyranoside

IUPAC name

2-[(2-{[45-dihydroxy-2-(hydroxymethyl)-6-[(2R7'S15'R18'S)-57'9'13'-tetramethyl-5'-oxaspiro[oxane-26'-pentacyclo[10.8.0.0^{29}.0^{48}.0^{1318}]icosan]-15'-oloxy]oxan-3-yl]oxy}-45-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-345-triol

SMILES

C[C@@H](C(C(C1)O2)C(C)(CC3)C1C(CC1)C3C(C)(C[C@H]3O)[C@@H]1CC3OC(C(C1O)O)OC(CO)C1OC(C(C1O)OC(C(C3O)O)OC(CO)C3O)OC(CO)C1O)[C@@]21OCC(C)CC1

InChI

InChI=1S/C45H74O19/c1-18-7-10-45(57-17-18)19(2)30-26(64-45)12-23-21-6-5-20-11-25(24(49)13-44(20,4)22(21)8-9-43(23,30)3)58-40-37(56)35(54)38(29(16-48)61-40)62-42-39(34(53)32(51)28(15-47)60-42)63-41-36(55)33(52)31(50)27(14-46)59-41/h18-42,46-56H,5-17H2,1-4H3/t18?,19-,20+,21?,22?,23?,24+,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45+/m0/s1

InChI Key

CGORMVKERVDQKF-UABBKAJRSA-N

MDL Number (MFCD)

MFCD00808465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

919.07

Hydrogen Bond Acceptors Count

19.00

Hydrogen Bond Donors Count

11.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

19

Partition Coefficient, logP

0.744

Distribution Coefficient, logD

0.744

Water Solubility, LogSw

-2.77

Polar Surface Area

238.594

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

28.00

Percent sp3 carbon bonding

100.00

N008-0008 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 N008-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N008-0008?
Check Price and Availability of N008-0008, 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 N008-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N008-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N008-0008
  • 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 N008-0008 available by request