V031-3054 Screening compound: 4-[5-benzyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide

V031-3054 Screening compound: 4-[5-benzyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
V031-3054 Screening compound: 4-[5-benzyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-3054
4-[5-benzyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide

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

V031-3054

Molecular Formula

C30H29Cl2N5O (C30 H29 Cl2 N5 O)

Compound Name

4-[5-benzyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide

IUPAC name

4-[5-benzyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-(26-dichlorophenyl)piperazine-1-carboxamide

SMILES

Cc1cccc(-c2nc(C)c(Cc3ccccc3)c(N(CC3)CCN3C(Nc(c(Cl)ccc3)c3Cl)=O)n2)c1

InChI

InChI=1S/C30H29Cl2N5O/c1-20-8-6-11-23(18-20)28-33-21(2)24(19-22-9-4-3-5-10-22)29(35-28)36-14-16-37(17-15-36)30(38)34-27-25(31)12-7-13-26(27)32/h3-13,18H,14-17,19H2,1-2H3,(H,34,38)

InChI Key

JJFIUEIFDXRXJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19851711

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

546.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.446

Distribution Coefficient, logD

8.282

Water Solubility, LogSw

-6.37

Polar Surface Area

46.110

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with V031-3054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-3054?
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What is the minimum amount of V031-3054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-3054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-3054
  • 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 V031-3054 available by request