V002-3980 Screening compound: 3-bromo-N-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-cyclopropylbenzamide

V002-3980 Screening compound: 3-bromo-N-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-cyclopropylbenzamide
V002-3980 Screening compound: 3-bromo-N-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-cyclopropylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-3980
3-bromo-N-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-cyclopropylbenzamide

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

V002-3980

Molecular Formula

C26H24BrClN2O3S (C26 H24 BrClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C1CC1)C(c1cccc(Br)c1)=O)N(CC1)C(COc(cc2)ccc2Cl)c2c1scc2

InChI

InChI=1S/C26H24BrClN2O3S/c27-18-3-1-2-17(14-18)26(32)30(20-6-7-20)15-25(31)29-12-10-24-22(11-13-34-24)23(29)16-33-21-8-4-19(28)5-9-21/h1-5,8-9,11,13-14,20,23H,6-7,10,12,15-16H2/t23-/m0/s1

InChI Key

WYGPNKBGOOQUPH-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19864851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.91

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

6.203

Distribution Coefficient, logD

6.203

Water Solubility, LogSw

-6.48

Polar Surface Area

39.590

Acid Dissociation Constant (pKa)

22.54

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with V002-3980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-3980?
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What is the minimum amount of V002-3980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-3980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-3980
  • 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 V002-3980 available by request