V026-9066 Screening compound: ethyl 6-{[4-(2-chlorobenzoyl)piperazino]methyl}-1-methyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

V026-9066 Screening compound: ethyl 6-{[4-(2-chlorobenzoyl)piperazino]methyl}-1-methyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
V026-9066 Screening compound: ethyl 6-{[4-(2-chlorobenzoyl)piperazino]methyl}-1-methyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-9066
ethyl 6-{[4-(2-chlorobenzoyl)piperazino]methyl}-1-methyl-4-(3-methylphenyl)-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

V026-9066

Molecular Formula

C27H31ClN4O4 (C27 H31 ClN4 O4)

Compound Name

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

IUPAC name

ethyl 6-{[4-(2-chlorobenzoyl)piperazin-1-yl]methyl}-1-methyl-4-(3-methylphenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1cc(C)ccc1)N1)=C(CN(CC2)CCN2C(c(cccc2)c2Cl)=O)N(C)C1=O)=O

InChI

InChI=1S/C27H31ClN4O4/c1-4-36-26(34)23-22(30(3)27(35)29-24(23)19-9-7-8-18(2)16-19)17-31-12-14-32(15-13-31)25(33)20-10-5-6-11-21(20)28/h5-11,16,24H,4,12-15,17H2,1-3H3,(H,29,35)/t24-/m1/s1

InChI Key

IJPMFNPEARVCLF-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19809511

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

511.02

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

3.273

Distribution Coefficient, logD

2.741

Water Solubility, LogSw

-3.65

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

37.04

References: we are preparing a list of scientific research reports with V026-9066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-9066?
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What is the minimum amount of V026-9066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-9066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-9066
  • 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 V026-9066 available by request