V026-3594 Screening compound: 1-(4-{6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)-3-methylbutan-1-one

V026-3594 Screening compound: 1-(4-{6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)-3-methylbutan-1-one
V026-3594 Screening compound: 1-(4-{6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)-3-methylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-3594
1-(4-{6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)-3-methylbutan-1-one

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

V026-3594

Molecular Formula

C29H36N4O2 (C29 H36 N4 O2)

Compound Name

1-(4-{6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)-3-methylbutan-1-one

IUPAC name

1-(4-{6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)-3-methylbutan-1-one

SMILES

CCc1c(Cc2cc(OC)ccc2)c(N(CC2)CCN2C(CC(C)C)=O)nc(-c2ccccc2)n1

InChI

InChI=1S/C29H36N4O2/c1-5-26-25(20-22-10-9-13-24(19-22)35-4)29(31-28(30-26)23-11-7-6-8-12-23)33-16-14-32(15-17-33)27(34)18-21(2)3/h6-13,19,21H,5,14-18,20H2,1-4H3

InChI Key

ZWDWBIFOSMGJKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19786656

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

472.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.817

Distribution Coefficient, logD

6.724

Water Solubility, LogSw

-5.68

Polar Surface Area

46.662

Acid Dissociation Constant (pKa)

21.42

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

References: we are preparing a list of scientific research reports with V026-3594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-3594?
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What is the minimum amount of V026-3594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-3594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-3594
  • 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 V026-3594 available by request