V021-0792 Screening compound: N-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-methoxy-N-propylbenzamide

V021-0792 Screening compound: N-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-methoxy-N-propylbenzamide
V021-0792 Screening compound: N-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-methoxy-N-propylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-0792
N-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-methoxy-N-propylbenzamide

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

V021-0792

Molecular Formula

C27H29FN2O4S (C27 H29 FN2 O4 S)

Compound Name

N-(2-{4-[(3-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-methoxy-N-propylbenzamide

IUPAC name

N-(2-{4-[(3-fluorophenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-4-methoxy-N-propylbenzamide

SMILES

CCCN(CC(N(CC1)C(COc2cc(F)ccc2)c2c1scc2)=O)C(c(cc1)ccc1OC)=O

InChI

InChI=1S/C27H29FN2O4S/c1-3-13-29(27(32)19-7-9-21(33-2)10-8-19)17-26(31)30-14-11-25-23(12-15-35-25)24(30)18-34-22-6-4-5-20(28)16-22/h4-10,12,15-16,24H,3,11,13-14,17-18H2,1-2H3/t24-/m0/s1

InChI Key

POYHQMLVWFXVLR-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19866809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.845

Distribution Coefficient, logD

4.845

Water Solubility, LogSw

-4.68

Polar Surface Area

47.808

Acid Dissociation Constant (pKa)

22.75

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V021-0792 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V021-0792 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-0792?
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What is the minimum amount of V021-0792 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-0792
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-0792
  • 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 V021-0792 available by request