V028-5950 Screening compound: N-[(1-benzyl-2-phenylmethanesulfonyl-1H-imidazol-5-yl)methyl]-N-cyclopropylbenzamide

V028-5950 Screening compound: N-[(1-benzyl-2-phenylmethanesulfonyl-1H-imidazol-5-yl)methyl]-N-cyclopropylbenzamide
V028-5950 Screening compound: N-[(1-benzyl-2-phenylmethanesulfonyl-1H-imidazol-5-yl)methyl]-N-cyclopropylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-5950
N-[(1-benzyl-2-phenylmethanesulfonyl-1H-imidazol-5-yl)methyl]-N-cyclopropylbenzamide

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

V028-5950

Molecular Formula

C28H27N3O3S (C28 H27 N3 O3 S)

Compound Name

N-[(1-benzyl-2-phenylmethanesulfonyl-1H-imidazol-5-yl)methyl]-N-cyclopropylbenzamide

IUPAC name

N-[(1-benzyl-2-phenylmethanesulfonyl-1H-imidazol-5-yl)methyl]-N-cyclopropylbenzamide

SMILES

O=C(c1ccccc1)N(Cc(n1Cc2ccccc2)cnc1S(Cc1ccccc1)(=O)=O)C1CC1

InChI

InChI=1S/C28H27N3O3S/c32-27(24-14-8-3-9-15-24)30(25-16-17-25)20-26-18-29-28(31(26)19-22-10-4-1-5-11-22)35(33,34)21-23-12-6-2-7-13-23/h1-15,18,25H,16-17,19-21H2

InChI Key

LCCZBRYCELENPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19829655

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

485.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.508

Distribution Coefficient, logD

4.508

Water Solubility, LogSw

-4.29

Polar Surface Area

56.167

Acid Dissociation Constant (pKa)

20.02

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

V028-5950 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 V028-5950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-5950?
Check Price and Availability of V028-5950, 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 V028-5950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-5950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-5950
  • 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 V028-5950 available by request