V014-5952 Screening compound: ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-4-(2,5-dimethylphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V014-5952 Screening compound: ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-4-(2,5-dimethylphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V014-5952 Screening compound: ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-4-(2,5-dimethylphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-5952
ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-4-(2,5-dimethylphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

V014-5952

Molecular Formula

C27H41N5O4 (C27 H41 N5 O4)

Compound Name

ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-4-(2,5-dimethylphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-4-(25-dimethylphenyl)-1-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1c(C)ccc(C)c1)N1)=C(CN(CC2)CC(C)N2C(NC(C)(C)C)=O)N(C)C1=O)=O

InChI

InChI=1S/C27H41N5O4/c1-9-36-24(33)22-21(16-31-12-13-32(19(4)15-31)26(35)29-27(5,6)7)30(8)25(34)28-23(22)20-14-17(2)10-11-18(20)3/h10-11,14,19,23H,9,12-13,15-16H2,1-8H3,(H,28,34)(H,29,35)

InChI Key

HCEHHAZIJIKQLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19811398

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

499.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.740

Distribution Coefficient, logD

1.573

Water Solubility, LogSw

-3.71

Polar Surface Area

77.435

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

8.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

59.30

V014-5952 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 V014-5952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-5952?
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What is the minimum amount of V014-5952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-5952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-5952
  • 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 V014-5952 available by request