V004-8251 Screening compound: 5-benzyl-4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)-6-methylpyrimidine

V004-8251 Screening compound: 5-benzyl-4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)-6-methylpyrimidine
V004-8251 Screening compound: 5-benzyl-4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)-6-methylpyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-8251
5-benzyl-4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)-6-methylpyrimidine

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

V004-8251

Molecular Formula

C29H25Cl2FN4O (C29 H25 Cl2 FN4 O)

Compound Name

5-benzyl-4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)-6-methylpyrimidine

IUPAC name

5-benzyl-4-[4-(34-dichlorobenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)-6-methylpyrimidine

SMILES

Cc1c(Cc2ccccc2)c(N(CC2)CCN2C(c(cc2)cc(Cl)c2Cl)=O)nc(-c2cc(F)ccc2)n1

InChI

InChI=1S/C29H25Cl2FN4O/c1-19-24(16-20-6-3-2-4-7-20)28(34-27(33-19)21-8-5-9-23(32)17-21)35-12-14-36(15-13-35)29(37)22-10-11-25(30)26(31)18-22/h2-11,17-18H,12-16H2,1H3

InChI Key

QBSFTTWSBNPNSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19851606

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

535.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.647

Distribution Coefficient, logD

7.595

Water Solubility, LogSw

-6.40

Polar Surface Area

38.685

Acid Dissociation Constant (pKa)

20.84

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

V004-8251 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 V004-8251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-8251?
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What is the minimum amount of V004-8251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-8251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-8251
  • 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 V004-8251 available by request