N014-0003 Screening compound: (6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(1,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl)propanoate

N014-0003 Screening compound: (6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(1,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl)propanoate
N014-0003 Screening compound: (6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(1,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound N014-0003
(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(1,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl)propanoate

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

N014-0003

Molecular Formula

C36H50O15 (C36 H50 O15)

Compound Name

(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(1,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl)propanoate

IUPAC name

(6-{[34-dihydroxy-25-bis(hydroxymethyl)oxolan-2-yl]oxy}-345-trihydroxyoxan-2-yl)methyl 3-(13-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl)propanoate

SMILES

CC(CC1)C(COc(cc2)cc(O3)c2C=CC3=O)C(C)(CCC(OCC(C(C(C2O)O)O)OC2OC(CO)(C2O)OC(CO)C2O)=O)C1=C(C)C

InChI

InChI=1S/C36H50O15/c1-18(2)22-9-5-19(3)23(15-46-21-8-6-20-7-10-28(40)48-24(20)13-21)35(22,4)12-11-27(39)47-16-26-29(41)31(43)32(44)34(49-26)51-36(17-38)33(45)30(42)25(14-37)50-36/h6-8,10,13,19,23,25-26,29-34,37-38,41-45H,5,9,11-12,14-17H2,1-4H3

InChI Key

JTGXEXCMXHUMBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

722.78

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

7.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

1.632

Distribution Coefficient, logD

1.632

Water Solubility, LogSw

-3.08

Polar Surface Area

184.959

Acid Dissociation Constant (pKa)

11.66

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

12.00

Percent sp3 carbon bonding

66.70

N014-0003 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with N014-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N014-0003?
Check Price and Availability of N014-0003, 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 N014-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N014-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N014-0003
  • 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 N014-0003 available by request