V002-4531 Screening compound: N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-methoxy-N-(3-methoxypropyl)benzamide

V002-4531 Screening compound: N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-methoxy-N-(3-methoxypropyl)benzamide
V002-4531 Screening compound: N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-methoxy-N-(3-methoxypropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-4531
N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-methoxy-N-(3-methoxypropyl)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

V002-4531

Molecular Formula

C29H33ClN2O5S (C29 H33 ClN2 O5 S)

Compound Name

N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-methoxy-N-(3-methoxypropyl)benzamide

IUPAC name

N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-3-methoxy-N-(3-methoxypropyl)benzamide

SMILES

Cc(cc(cc1)OCC(c2c(CC3)scc2)N3C(CN(CCCOC)C(c2cc(OC)ccc2)=O)=O)c1Cl

InChI

InChI=1S/C29H33ClN2O5S/c1-20-16-23(8-9-25(20)30)37-19-26-24-11-15-38-27(24)10-13-32(26)28(33)18-31(12-5-14-35-2)29(34)21-6-4-7-22(17-21)36-3/h4,6-9,11,15-17,26H,5,10,12-14,18-19H2,1-3H3/t26-/m0/s1

InChI Key

BJOBXLLXSNXWLO-SANMLTNESA-N

MDL Number (MFCD)

MFCD19865060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.11

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.473

Distribution Coefficient, logD

5.473

Water Solubility, LogSw

-5.99

Polar Surface Area

56.151

Acid Dissociation Constant (pKa)

22.75

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.90

References: we are preparing a list of scientific research reports with V002-4531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4531?
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What is the minimum amount of V002-4531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4531
  • 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 V002-4531 available by request