V002-7223 Screening compound: 2-{4-[4-(2-chlorobenzoyl)piperazin-1-yl]-6-ethyl-5-[(3-methylphenyl)methyl]pyrimidin-2-yl}acetonitrile

V002-7223 Screening compound: 2-{4-[4-(2-chlorobenzoyl)piperazin-1-yl]-6-ethyl-5-[(3-methylphenyl)methyl]pyrimidin-2-yl}acetonitrile
V002-7223 Screening compound: 2-{4-[4-(2-chlorobenzoyl)piperazin-1-yl]-6-ethyl-5-[(3-methylphenyl)methyl]pyrimidin-2-yl}acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-7223
2-{4-[4-(2-chlorobenzoyl)piperazin-1-yl]-6-ethyl-5-[(3-methylphenyl)methyl]pyrimidin-2-yl}acetonitrile

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

V002-7223

Molecular Formula

C27H28ClN5O (C27 H28 ClN5 O)

Compound Name

2-{4-[4-(2-chlorobenzoyl)piperazin-1-yl]-6-ethyl-5-[(3-methylphenyl)methyl]pyrimidin-2-yl}acetonitrile

IUPAC name

2-{4-[4-(2-chlorobenzoyl)piperazin-1-yl]-6-ethyl-5-[(3-methylphenyl)methyl]pyrimidin-2-yl}acetonitrile

SMILES

CCc1c(Cc2cc(C)ccc2)c(N(CC2)CCN2C(c(cccc2)c2Cl)=O)nc(CC#N)n1

InChI

InChI=1S/C27H28ClN5O/c1-3-24-22(18-20-8-6-7-19(2)17-20)26(31-25(30-24)11-12-29)32-13-15-33(16-14-32)27(34)21-9-4-5-10-23(21)28/h4-10,17H,3,11,13-16,18H2,1-2H3

InChI Key

HLBHCBDRFRZNKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19785325

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

474.01

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.356

Distribution Coefficient, logD

5.354

Water Solubility, LogSw

-5.81

Polar Surface Area

58.128

Acid Dissociation Constant (pKa)

21.42

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V002-7223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-7223?
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What is the minimum amount of V002-7223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-7223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-7223
  • 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 V002-7223 available by request