V026-5331 Screening compound: 1-(4-{6-methyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)butan-2-ol

V026-5331 Screening compound: 1-(4-{6-methyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)butan-2-ol
V026-5331 Screening compound: 1-(4-{6-methyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)butan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5331
1-(4-{6-methyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)butan-2-ol

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

V026-5331

Molecular Formula

C27H34N4O (C27 H34 N4 O)

Compound Name

1-(4-{6-methyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)butan-2-ol

IUPAC name

1-(4-{6-methyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)butan-2-ol

SMILES

CCC(CN(CC1)CCN1c1nc(-c2ccccc2)nc(C)c1Cc1cc(C)ccc1)O

InChI

InChI=1S/C27H34N4O/c1-4-24(32)19-30-13-15-31(16-14-30)27-25(18-22-10-8-9-20(2)17-22)21(3)28-26(29-27)23-11-6-5-7-12-23/h5-12,17,24,32H,4,13-16,18-19H2,1-3H3/t24-/m0/s1

InChI Key

PIZDZPRIAKCNSO-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19885229

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

430.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.118

Distribution Coefficient, logD

5.613

Water Solubility, LogSw

-5.66

Polar Surface Area

42.660

Acid Dissociation Constant (pKa)

16.77

Base Dissociation Constant (pKb)

7.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

V026-5331 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V026-5331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5331?
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What is the minimum amount of V026-5331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5331
  • 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 V026-5331 available by request