V028-0416 Screening compound: 2-(butan-2-yl)-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-5-[(2-fluorophenyl)methyl]-6-methylpyrimidine

V028-0416 Screening compound: 2-(butan-2-yl)-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-5-[(2-fluorophenyl)methyl]-6-methylpyrimidine
V028-0416 Screening compound: 2-(butan-2-yl)-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-5-[(2-fluorophenyl)methyl]-6-methylpyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0416
2-(butan-2-yl)-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-5-[(2-fluorophenyl)methyl]-6-methylpyrimidine

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

V028-0416

Molecular Formula

C27H30F2N4O (C27 H30 F2 N4 O)

Compound Name

2-(butan-2-yl)-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-5-[(2-fluorophenyl)methyl]-6-methylpyrimidine

IUPAC name

2-(butan-2-yl)-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-5-[(2-fluorophenyl)methyl]-6-methylpyrimidine

SMILES

CCC(C)c1nc(N(CC2)CCN2C(c(cc2)ccc2F)=O)c(Cc(cccc2)c2F)c(C)n1

InChI

InChI=1S/C27H30F2N4O/c1-4-18(2)25-30-19(3)23(17-21-7-5-6-8-24(21)29)26(31-25)32-13-15-33(16-14-32)27(34)20-9-11-22(28)12-10-20/h5-12,18H,4,13-17H2,1-3H3/t18-/m0/s1

InChI Key

MUWMCUGMGLIJIB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19785300

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

464.56

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

5.877

Distribution Coefficient, logD

5.819

Water Solubility, LogSw

-5.59

Polar Surface Area

38.957

Acid Dissociation Constant (pKa)

20.84

Base Dissociation Constant (pKb)

6.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with V028-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0416?
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What is the minimum amount of V028-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0416
  • 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 V028-0416 available by request