V003-3131 Screening compound: 3-bromo-N-cyclopropyl-N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)benzamide

V003-3131 Screening compound: 3-bromo-N-cyclopropyl-N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)benzamide
V003-3131 Screening compound: 3-bromo-N-cyclopropyl-N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3131
3-bromo-N-cyclopropyl-N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)benzamide

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

V003-3131

Molecular Formula

C26H24BrFN2O3S (C26 H24 BrFN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C1CC1)C(c1cccc(Br)c1)=O)N(CC1)C(COc(cccc2)c2F)c2c1scc2

InChI

InChI=1S/C26H24BrFN2O3S/c27-18-5-3-4-17(14-18)26(32)30(19-8-9-19)15-25(31)29-12-10-24-20(11-13-34-24)22(29)16-33-23-7-2-1-6-21(23)28/h1-7,11,13-14,19,22H,8-10,12,15-16H2/t22-/m0/s1

InChI Key

LTIJOYRTMLOOKY-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19866591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.811

Distribution Coefficient, logD

5.811

Water Solubility, LogSw

-5.98

Polar Surface Area

39.677

Acid Dissociation Constant (pKa)

22.54

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

V003-3131 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V003-3131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3131?
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What is the minimum amount of V003-3131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3131
  • 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 V003-3131 available by request