V012-4876 Screening compound: ethyl 1-butyl-4-[3-(2-chlorobenzamido)phenyl]-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V012-4876 Screening compound: ethyl 1-butyl-4-[3-(2-chlorobenzamido)phenyl]-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V012-4876 Screening compound: ethyl 1-butyl-4-[3-(2-chlorobenzamido)phenyl]-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-4876
ethyl 1-butyl-4-[3-(2-chlorobenzamido)phenyl]-2-oxo-6-phenyl-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

V012-4876

Molecular Formula

C30H30ClN3O4 (C30 H30 ClN3 O4)

Compound Name

ethyl 1-butyl-4-[3-(2-chlorobenzamido)phenyl]-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 1-butyl-4-[3-(2-chlorobenzamido)phenyl]-2-oxo-6-phenyl-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCCCN(C(c1ccccc1)=C(C(c1cccc(NC(c(cccc2)c2Cl)=O)c1)N1)C(OCC)=O)C1=O

InChI

InChI=1S/C30H30ClN3O4/c1-3-5-18-34-27(20-12-7-6-8-13-20)25(29(36)38-4-2)26(33-30(34)37)21-14-11-15-22(19-21)32-28(35)23-16-9-10-17-24(23)31/h6-17,19,26H,3-5,18H2,1-2H3,(H,32,35)(H,33,37)/t26-/m0/s1

InChI Key

UJCISMGWPCLDSO-SANMLTNESA-N

MDL Number (MFCD)

MFCD14240954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.04

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.696

Distribution Coefficient, logD

6.695

Water Solubility, LogSw

-6.16

Polar Surface Area

71.870

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with V012-4876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-4876?
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What is the minimum amount of V012-4876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-4876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-4876
  • 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 V012-4876 available by request