V012-3345 Screening compound: 4-ETHYL-5-[(2-FLUOROPHENYL)METHYL]-2-PHENYL-6-[4-(PROPANE-1-SULFONYL)PIPERAZIN-1-YL]PYRIMIDINE

V012-3345 Screening compound: 4-ETHYL-5-[(2-FLUOROPHENYL)METHYL]-2-PHENYL-6-[4-(PROPANE-1-SULFONYL)PIPERAZIN-1-YL]PYRIMIDINE
V012-3345 Screening compound: 4-ETHYL-5-[(2-FLUOROPHENYL)METHYL]-2-PHENYL-6-[4-(PROPANE-1-SULFONYL)PIPERAZIN-1-YL]PYRIMIDINE alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-3345
4-ETHYL-5-[(2-FLUOROPHENYL)METHYL]-2-PHENYL-6-[4-(PROPANE-1-SULFONYL)PIPERAZIN-1-YL]PYRIMIDINE

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

V012-3345

Molecular Formula

C26H31FN4O2S (C26 H31 FN4 O2 S)

Compound Name

4-ETHYL-5-[(2-FLUOROPHENYL)METHYL]-2-PHENYL-6-[4-(PROPANE-1-SULFONYL)PIPERAZIN-1-YL]PYRIMIDINE

IUPAC name

4-ethyl-5-[(2-fluorophenyl)methyl]-2-phenyl-6-[4-(propane-1-sulfonyl)piperazin-1-yl]pyrimidine

SMILES

CCCS(N(CC1)CCN1c1nc(-c2ccccc2)nc(CC)c1Cc(cccc1)c1F)(=O)=O

InChI

InChI=1S/C26H31FN4O2S/c1-3-18-34(32,33)31-16-14-30(15-17-31)26-22(19-21-12-8-9-13-23(21)27)24(4-2)28-25(29-26)20-10-6-5-7-11-20/h5-13H,3-4,14-19H2,1-2H3

InChI Key

VFQZOTKNTFKNBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19790272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.217

Distribution Coefficient, logD

6.186

Water Solubility, LogSw

-5.74

Polar Surface Area

54.602

Acid Dissociation Constant (pKa)

21.42

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with V012-3345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-3345?
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What is the minimum amount of V012-3345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-3345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-3345
  • 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 V012-3345 available by request