V019-9045 Screening compound: ethyl 4-(3-chlorophenyl)-6-{[4-(4-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V019-9045 Screening compound: ethyl 4-(3-chlorophenyl)-6-{[4-(4-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V019-9045 Screening compound: ethyl 4-(3-chlorophenyl)-6-{[4-(4-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-9045
ethyl 4-(3-chlorophenyl)-6-{[4-(4-fluorobenzoyl)-3-methylpiperazin-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

V019-9045

Molecular Formula

C27H30ClFN4O4 (C27 H30 ClFN4 O4)

Compound Name

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

IUPAC name

ethyl 4-(3-chlorophenyl)-6-{[4-(4-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1cccc(Cl)c1)N1)=C(CN(CC2)CC(C)N2C(c(cc2)ccc2F)=O)N(C)C1=O)=O

InChI

InChI=1S/C27H30ClFN4O4/c1-4-37-26(35)23-22(31(3)27(36)30-24(23)19-6-5-7-20(28)14-19)16-32-12-13-33(17(2)15-32)25(34)18-8-10-21(29)11-9-18/h5-11,14,17,24H,4,12-13,15-16H2,1-3H3,(H,30,36)

InChI Key

QRXSGDSMVKAXFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19815603

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

529.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.595

Distribution Coefficient, logD

3.081

Water Solubility, LogSw

-4.03

Polar Surface Area

68.197

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with V019-9045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-9045?
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What is the minimum amount of V019-9045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-9045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-9045
  • 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 V019-9045 available by request