V003-9812 Screening compound: 4-{5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-phenylpyrimidin-4-yl}-N,N-dimethylpiperazine-1-carboxamide

V003-9812 Screening compound: 4-{5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-phenylpyrimidin-4-yl}-N,N-dimethylpiperazine-1-carboxamide
V003-9812 Screening compound: 4-{5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-phenylpyrimidin-4-yl}-N,N-dimethylpiperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9812
4-{5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-phenylpyrimidin-4-yl}-N,N-dimethylpiperazine-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

V003-9812

Molecular Formula

C26H29ClFN5O (C26 H29 ClFN5 O)

Compound Name

4-{5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-phenylpyrimidin-4-yl}-N,N-dimethylpiperazine-1-carboxamide

IUPAC name

4-{5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-phenylpyrimidin-4-yl}-NN-dimethylpiperazine-1-carboxamide

SMILES

CCc1nc(-c2ccccc2)nc(N(CC2)CCN2C(N(C)C)=O)c1Cc(c(F)ccc1)c1Cl

InChI

InChI=1S/C26H29ClFN5O/c1-4-23-20(17-19-21(27)11-8-12-22(19)28)25(30-24(29-23)18-9-6-5-7-10-18)32-13-15-33(16-14-32)26(34)31(2)3/h5-12H,4,13-17H2,1-3H3

InChI Key

NDAGDTQDGWHAKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19783095

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

482

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.504

Distribution Coefficient, logD

6.473

Water Solubility, LogSw

-6.23

Polar Surface Area

40.532

Acid Dissociation Constant (pKa)

21.42

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

V003-9812 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 V003-9812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9812?
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What is the minimum amount of V003-9812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9812
  • 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 V003-9812 available by request