V020-2959 Screening compound: 4-ethyl-5-[(4-fluorophenyl)methyl]-2-phenyl-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrimidine

V020-2959 Screening compound: 4-ethyl-5-[(4-fluorophenyl)methyl]-2-phenyl-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrimidine
V020-2959 Screening compound: 4-ethyl-5-[(4-fluorophenyl)methyl]-2-phenyl-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-2959
4-ethyl-5-[(4-fluorophenyl)methyl]-2-phenyl-6-[4-(thiophene-2-carbonyl)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

V020-2959

Molecular Formula

C28H27FN4OS (C28 H27 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

CCc1c(Cc(cc2)ccc2F)c(N(CC2)CCN2C(c2cccs2)=O)nc(-c2ccccc2)n1

InChI

InChI=1S/C28H27FN4OS/c1-2-24-23(19-20-10-12-22(29)13-11-20)27(31-26(30-24)21-7-4-3-5-8-21)32-14-16-33(17-15-32)28(34)25-9-6-18-35-25/h3-13,18H,2,14-17,19H2,1H3

InChI Key

LMUGIMCWAPEXQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19794779

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

486.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.921

Distribution Coefficient, logD

6.828

Water Solubility, LogSw

-5.74

Polar Surface Area

40.392

Acid Dissociation Constant (pKa)

20.95

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V020-2959 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V020-2959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-2959?
Check Price and Availability of V020-2959, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V020-2959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-2959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-2959
  • 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 V020-2959 available by request