V016-3817 Screening compound: ethyl 4-(3-chlorophenyl)-6-{[4-(cyclopropylcarbonyl)piperazino]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

V016-3817 Screening compound: ethyl 4-(3-chlorophenyl)-6-{[4-(cyclopropylcarbonyl)piperazino]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
V016-3817 Screening compound: ethyl 4-(3-chlorophenyl)-6-{[4-(cyclopropylcarbonyl)piperazino]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-3817
ethyl 4-(3-chlorophenyl)-6-{[4-(cyclopropylcarbonyl)piperazino]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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

V016-3817

Molecular Formula

C23H29ClN4O4 (C23 H29 ClN4 O4)

Compound Name

ethyl 4-(3-chlorophenyl)-6-{[4-(cyclopropylcarbonyl)piperazino]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

ethyl 4-(3-chlorophenyl)-6-[(4-cyclopropanecarbonylpiperazin-1-yl)methyl]-1-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1cccc(Cl)c1)N1)=C(CN(CC2)CCN2C(C2CC2)=O)N(C)C1=O)=O

InChI

InChI=1S/C23H29ClN4O4/c1-3-32-22(30)19-18(14-27-9-11-28(12-10-27)21(29)15-7-8-15)26(2)23(31)25-20(19)16-5-4-6-17(24)13-16/h4-6,13,15,20H,3,7-12,14H2,1-2H3,(H,25,31)/t20-/m0/s1

InChI Key

KZHGPLJQDSDGCE-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

460.96

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

2.364

Distribution Coefficient, logD

1.391

Water Solubility, LogSw

-3.46

Polar Surface Area

69.502

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.17

References: we are preparing a list of scientific research reports with V016-3817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-3817?
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What is the minimum amount of V016-3817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-3817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-3817
  • 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 V016-3817 available by request