V022-0881 Screening compound: N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-fluoro-N-[(furan-2-yl)methyl]benzamide

V022-0881 Screening compound: N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-fluoro-N-[(furan-2-yl)methyl]benzamide
V022-0881 Screening compound: N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-fluoro-N-[(furan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-0881
N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-fluoro-N-[(furan-2-yl)methyl]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

V022-0881

Molecular Formula

C29H26ClFN2O4S (C29 H26 ClFN2 O4 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-fluoro-N-[(furan-2-yl)methyl]benzamide

IUPAC name

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

SMILES

Cc(cc(cc1)OCC(c2c(CC3)scc2)N3C(CN(Cc2ccco2)C(c2cc(F)ccc2)=O)=O)c1Cl

InChI

InChI=1S/C29H26ClFN2O4S/c1-19-14-22(7-8-25(19)30)37-18-26-24-10-13-38-27(24)9-11-33(26)28(34)17-32(16-23-6-3-12-36-23)29(35)20-4-2-5-21(31)15-20/h2-8,10,12-15,26H,9,11,16-18H2,1H3/t26-/m0/s1

InChI Key

RVXRTDCSWKTTBX-SANMLTNESA-N

MDL Number (MFCD)

MFCD19865011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.05

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.183

Distribution Coefficient, logD

6.183

Water Solubility, LogSw

-6.25

Polar Surface Area

47.763

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with V022-0881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-0881?
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What is the minimum amount of V022-0881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-0881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-0881
  • 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 V022-0881 available by request