V019-9031 Screening compound: ethyl 4-(4-tert-butylphenyl)-6-{[4-(2-chlorobenzoyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V019-9031 Screening compound: ethyl 4-(4-tert-butylphenyl)-6-{[4-(2-chlorobenzoyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V019-9031 Screening compound: ethyl 4-(4-tert-butylphenyl)-6-{[4-(2-chlorobenzoyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-9031
ethyl 4-(4-tert-butylphenyl)-6-{[4-(2-chlorobenzoyl)piperazin-1-yl]methyl}-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

V019-9031

Molecular Formula

C30H37ClN4O4 (C30 H37 ClN4 O4)

Compound Name

ethyl 4-(4-tert-butylphenyl)-6-{[4-(2-chlorobenzoyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(4-tert-butylphenyl)-6-{[4-(2-chlorobenzoyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1ccc(C(C)(C)C)cc1)N1)=C(CN(CC2)CCN2C(c(cccc2)c2Cl)=O)N(C)C1=O)=O

InChI

InChI=1S/C30H37ClN4O4/c1-6-39-28(37)25-24(19-34-15-17-35(18-16-34)27(36)22-9-7-8-10-23(22)31)33(5)29(38)32-26(25)20-11-13-21(14-12-20)30(2,3)4/h7-14,26H,6,15-19H2,1-5H3,(H,32,38)/t26-/m1/s1

InChI Key

XMDILNBNEVKUJV-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19811481

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

553.1

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.430

Distribution Coefficient, logD

3.899

Water Solubility, LogSw

-4.54

Polar Surface Area

68.979

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

7.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.30

References: we are preparing a list of scientific research reports with V019-9031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-9031?
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What is the minimum amount of V019-9031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-9031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-9031
  • 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 V019-9031 available by request