V007-7452 Screening compound: 4-{6-ethyl-5-[(2-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl}-N-(propan-2-yl)piperazine-1-carboxamide

V007-7452 Screening compound: 4-{6-ethyl-5-[(2-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl}-N-(propan-2-yl)piperazine-1-carboxamide
V007-7452 Screening compound: 4-{6-ethyl-5-[(2-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl}-N-(propan-2-yl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-7452
4-{6-ethyl-5-[(2-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl}-N-(propan-2-yl)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

V007-7452

Molecular Formula

C27H32FN5O (C27 H32 FN5 O)

Compound Name

4-{6-ethyl-5-[(2-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl}-N-(propan-2-yl)piperazine-1-carboxamide

IUPAC name

4-{6-ethyl-5-[(2-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl}-N-(propan-2-yl)piperazine-1-carboxamide

SMILES

CCc1nc(-c2ccccc2)nc(N(CC2)CCN2C(NC(C)C)=O)c1Cc(cccc1)c1F

InChI

InChI=1S/C27H32FN5O/c1-4-24-22(18-21-12-8-9-13-23(21)28)26(31-25(30-24)20-10-6-5-7-11-20)32-14-16-33(17-15-32)27(34)29-19(2)3/h5-13,19H,4,14-18H2,1-3H3,(H,29,34)

InChI Key

XTVPENKEQKCMSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19785373

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

461.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.543

Distribution Coefficient, logD

6.512

Water Solubility, LogSw

-5.75

Polar Surface Area

48.763

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

V007-7452 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V007-7452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-7452?
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What is the minimum amount of V007-7452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-7452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-7452
  • 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 V007-7452 available by request