V012-9063 Screening compound: N-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide

V012-9063 Screening compound: N-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide
V012-9063 Screening compound: N-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-9063
N-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-4-methyl-N-(prop-2-en-1-yl)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

V012-9063

Molecular Formula

C24H28ClN3O4S2 (C24 H28 ClN3 O4 S2)

Compound Name

N-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide

IUPAC name

N-({2-[(3-chlorophenyl)methanesulfonyl]-1-(propan-2-yl)-1H-imidazol-5-yl}methyl)-4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide

SMILES

CC(C)n1c(S(Cc2cccc(Cl)c2)(=O)=O)ncc1CN(CC=C)S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C24H28ClN3O4S2/c1-5-13-27(34(31,32)23-11-9-19(4)10-12-23)16-22-15-26-24(28(22)18(2)3)33(29,30)17-20-7-6-8-21(25)14-20/h5-12,14-15,18H,1,13,16-17H2,2-4H3

InChI Key

ZYGXKZBMHJLOQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19818128

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

522.09

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.987

Distribution Coefficient, logD

4.987

Water Solubility, LogSw

-4.98

Polar Surface Area

73.352

Acid Dissociation Constant (pKa)

19.63

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

V012-9063 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V012-9063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-9063?
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What is the minimum amount of V012-9063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-9063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-9063
  • 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 V012-9063 available by request