V012-7761 Screening compound: N-({2-[(3-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)-N-(prop-2-en-1-yl)benzenesulfonamide

V012-7761 Screening compound: N-({2-[(3-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)-N-(prop-2-en-1-yl)benzenesulfonamide
V012-7761 Screening compound: N-({2-[(3-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)-N-(prop-2-en-1-yl)benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-7761
N-({2-[(3-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)-N-(prop-2-en-1-yl)benzenesulfonamide

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

V012-7761

Molecular Formula

C25H31N3O4S2 (C25 H31 N3 O4 S2)

Compound Name

N-({2-[(3-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)-N-(prop-2-en-1-yl)benzenesulfonamide

IUPAC name

N-({2-[(3-methylphenyl)methanesulfonyl]-1-(2-methylpropyl)-1H-imidazol-5-yl}methyl)-N-(prop-2-en-1-yl)benzenesulfonamide

SMILES

CC(C)Cn1c(S(Cc2cc(C)ccc2)(=O)=O)ncc1CN(CC=C)S(c1ccccc1)(=O)=O

InChI

InChI=1S/C25H31N3O4S2/c1-5-14-27(34(31,32)24-12-7-6-8-13-24)18-23-16-26-25(28(23)17-20(2)3)33(29,30)19-22-11-9-10-21(4)15-22/h5-13,15-16,20H,1,14,17-19H2,2-4H3

InChI Key

IPSJHGGFYIRNOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19817477

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

501.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.000

Distribution Coefficient, logD

5.000

Water Solubility, LogSw

-4.57

Polar Surface Area

72.277

Acid Dissociation Constant (pKa)

20.02

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

V012-7761 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 V012-7761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-7761?
Check Price and Availability of V012-7761, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V012-7761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-7761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-7761
  • 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 V012-7761 available by request