V031-3031 Screening compound: 4-[5-benzyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]-N-(4-methylphenyl)piperazine-1-carboxamide

V031-3031 Screening compound: 4-[5-benzyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
V031-3031 Screening compound: 4-[5-benzyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]-N-(4-methylphenyl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-3031
4-[5-benzyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]-N-(4-methylphenyl)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

V031-3031

Molecular Formula

C30H30FN5O (C30 H30 FN5 O)

Compound Name

4-[5-benzyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]-N-(4-methylphenyl)piperazine-1-carboxamide

IUPAC name

4-[5-benzyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]-N-(4-methylphenyl)piperazine-1-carboxamide

SMILES

Cc(cc1)ccc1NC(N(CC1)CCN1c1c(Cc2ccccc2)c(C)nc(-c2cccc(F)c2)n1)=O

InChI

InChI=1S/C30H30FN5O/c1-21-11-13-26(14-12-21)33-30(37)36-17-15-35(16-18-36)29-27(19-23-7-4-3-5-8-23)22(2)32-28(34-29)24-9-6-10-25(31)20-24/h3-14,20H,15-19H2,1-2H3,(H,33,37)

InChI Key

CWOIZCBFBAAZCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19851867

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

495.6

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

7.231

Distribution Coefficient, logD

7.179

Water Solubility, LogSw

-5.70

Polar Surface Area

47.506

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with V031-3031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-3031?
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What is the minimum amount of V031-3031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-3031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-3031
  • 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 V031-3031 available by request