V028-0398 Screening compound: 2-(butan-2-yl)-4-(4-cyclobutanecarbonylpiperazin-1-yl)-5-[(2-fluorophenyl)methyl]-6-methylpyrimidine

V028-0398 Screening compound: 2-(butan-2-yl)-4-(4-cyclobutanecarbonylpiperazin-1-yl)-5-[(2-fluorophenyl)methyl]-6-methylpyrimidine
V028-0398 Screening compound: 2-(butan-2-yl)-4-(4-cyclobutanecarbonylpiperazin-1-yl)-5-[(2-fluorophenyl)methyl]-6-methylpyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0398
2-(butan-2-yl)-4-(4-cyclobutanecarbonylpiperazin-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

V028-0398

Molecular Formula

C25H33FN4O (C25 H33 FN4 O)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)c1nc(N(CC2)CCN2C(C2CCC2)=O)c(Cc(cccc2)c2F)c(C)n1

InChI

InChI=1S/C25H33FN4O/c1-4-17(2)23-27-18(3)21(16-20-8-5-6-11-22(20)26)24(28-23)29-12-14-30(15-13-29)25(31)19-9-7-10-19/h5-6,8,11,17,19H,4,7,9-10,12-16H2,1-3H3/t17-/m0/s1

InChI Key

JECKNMAYDVTCCP-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19790096

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

424.56

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

5.163

Distribution Coefficient, logD

5.105

Water Solubility, LogSw

-4.87

Polar Surface Area

39.480

Acid Dissociation Constant (pKa)

20.84

Base Dissociation Constant (pKb)

6.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.00

References: we are preparing a list of scientific research reports with V028-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0398?
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What is the minimum amount of V028-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0398
  • 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 V028-0398 available by request