V022-6955 Screening compound: N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-methoxy-N-(2-methylpropyl)benzene-1-sulfonamide

V022-6955 Screening compound: N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-methoxy-N-(2-methylpropyl)benzene-1-sulfonamide
V022-6955 Screening compound: N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-methoxy-N-(2-methylpropyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-6955
N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-methoxy-N-(2-methylpropyl)benzene-1-sulfonamide

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

V022-6955

Molecular Formula

C27H31FN2O5S2 (C27 H31 FN2 O5 S2)

Compound Name

N-(2-{4-[(2-fluorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-methoxy-N-(2-methylpropyl)benzene-1-sulfonamide

IUPAC name

N-(2-{4-[(2-fluorophenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-4-methoxy-N-(2-methylpropyl)benzene-1-sulfonamide

SMILES

CC(C)CN(CC(N(CC1)C(COc(cccc2)c2F)c2c1scc2)=O)S(c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C27H31FN2O5S2/c1-19(2)16-29(37(32,33)21-10-8-20(34-3)9-11-21)17-27(31)30-14-12-26-22(13-15-36-26)24(30)18-35-25-7-5-4-6-23(25)28/h4-11,13,15,19,24H,12,14,16-18H2,1-3H3/t24-/m0/s1

InChI Key

BQCGTUFIGJTVMT-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19867939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.629

Distribution Coefficient, logD

5.629

Water Solubility, LogSw

-5.48

Polar Surface Area

63.081

Acid Dissociation Constant (pKa)

23.06

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

V022-6955 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V022-6955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-6955?
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What is the minimum amount of V022-6955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-6955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-6955
  • 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 V022-6955 available by request