V022-7826 Screening compound: N-benzyl-4-chloro-N-(4-{[(2-phenylethyl)carbamoyl]methyl}phenyl)benzamide

V022-7826 Screening compound: N-benzyl-4-chloro-N-(4-{[(2-phenylethyl)carbamoyl]methyl}phenyl)benzamide
V022-7826 Screening compound: N-benzyl-4-chloro-N-(4-{[(2-phenylethyl)carbamoyl]methyl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-7826
N-benzyl-4-chloro-N-(4-{[(2-phenylethyl)carbamoyl]methyl}phenyl)benzamide

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

V022-7826

Molecular Formula

C30H27ClN2O2 (C30 H27 ClN2 O2)

Compound Name

N-benzyl-4-chloro-N-(4-{[(2-phenylethyl)carbamoyl]methyl}phenyl)benzamide

IUPAC name

N-benzyl-4-chloro-N-(4-{[(2-phenylethyl)carbamoyl]methyl}phenyl)benzamide

SMILES

O=C(Cc(cc1)ccc1N(Cc1ccccc1)C(c(cc1)ccc1Cl)=O)NCCc1ccccc1

InChI

InChI=1S/C30H27ClN2O2/c31-27-15-13-26(14-16-27)30(35)33(22-25-9-5-2-6-10-25)28-17-11-24(12-18-28)21-29(34)32-20-19-23-7-3-1-4-8-23/h1-18H,19-22H2,(H,32,34)

InChI Key

YCGJFOYFJQKZOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19903317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.01

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.458

Distribution Coefficient, logD

5.458

Water Solubility, LogSw

-6.03

Polar Surface Area

39.631

Acid Dissociation Constant (pKa)

13.96

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

V022-7826 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V022-7826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-7826?
Check Price and Availability of V022-7826, 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 V022-7826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-7826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-7826
  • 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 V022-7826 available by request