V012-7495 Screening compound: 4-methoxy-N-{[1-(2-methoxyethyl)-2-[(3-methoxyphenyl)methanesulfonyl]-1H-imidazol-5-yl]methyl}-N-(2-methylpropyl)benzene-1-sulfonamide

V012-7495 Screening compound: 4-methoxy-N-{[1-(2-methoxyethyl)-2-[(3-methoxyphenyl)methanesulfonyl]-1H-imidazol-5-yl]methyl}-N-(2-methylpropyl)benzene-1-sulfonamide
V012-7495 Screening compound: 4-methoxy-N-{[1-(2-methoxyethyl)-2-[(3-methoxyphenyl)methanesulfonyl]-1H-imidazol-5-yl]methyl}-N-(2-methylpropyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-7495
4-methoxy-N-{[1-(2-methoxyethyl)-2-[(3-methoxyphenyl)methanesulfonyl]-1H-imidazol-5-yl]methyl}-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

V012-7495

Molecular Formula

C26H35N3O7S2 (C26 H35 N3 O7 S2)

Compound Name

4-methoxy-N-{[1-(2-methoxyethyl)-2-[(3-methoxyphenyl)methanesulfonyl]-1H-imidazol-5-yl]methyl}-N-(2-methylpropyl)benzene-1-sulfonamide

IUPAC name

4-methoxy-N-{[1-(2-methoxyethyl)-2-[(3-methoxyphenyl)methanesulfonyl]-1H-imidazol-5-yl]methyl}-N-(2-methylpropyl)benzene-1-sulfonamide

SMILES

CC(C)CN(Cc(n1CCOC)cnc1S(Cc1cc(OC)ccc1)(=O)=O)S(c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C26H35N3O7S2/c1-20(2)17-28(38(32,33)25-11-9-23(35-4)10-12-25)18-22-16-27-26(29(22)13-14-34-3)37(30,31)19-21-7-6-8-24(15-21)36-5/h6-12,15-16,20H,13-14,17-19H2,1-5H3

InChI Key

HLGNVJILQYNITF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19819132

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

565.71

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.938

Distribution Coefficient, logD

3.938

Water Solubility, LogSw

-3.95

Polar Surface Area

95.707

Acid Dissociation Constant (pKa)

20.02

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

V012-7495 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V012-7495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-7495?
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What is the minimum amount of V012-7495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-7495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-7495
  • 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 V012-7495 available by request