V015-9456 Screening compound: ethyl 6-{[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]methyl}-4-(2,3-dichlorophenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V015-9456 Screening compound: ethyl 6-{[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]methyl}-4-(2,3-dichlorophenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V015-9456 Screening compound: ethyl 6-{[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]methyl}-4-(2,3-dichlorophenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-9456
ethyl 6-{[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]methyl}-4-(2,3-dichlorophenyl)-1-ethyl-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

V015-9456

Molecular Formula

C28H31Cl3N4O4 (C28 H31 Cl3 N4 O4)

Compound Name

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

IUPAC name

ethyl 6-{[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]methyl}-4-(23-dichlorophenyl)-1-ethyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(CN(CC1)CC(C)N1C(c(cc1)ccc1Cl)=O)=C(C(c1cccc(Cl)c1Cl)N1)C(OCC)=O)C1=O

InChI

InChI=1S/C28H31Cl3N4O4/c1-4-34-22(16-33-13-14-35(17(3)15-33)26(36)18-9-11-19(29)12-10-18)23(27(37)39-5-2)25(32-28(34)38)20-7-6-8-21(30)24(20)31/h6-12,17,25H,4-5,13-16H2,1-3H3,(H,32,38)

InChI Key

SFWTVHLMZGEARZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19813395

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

593.94

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

5.379

Distribution Coefficient, logD

4.949

Water Solubility, LogSw

-5.96

Polar Surface Area

68.156

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

7.63

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with V015-9456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-9456?
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What is the minimum amount of V015-9456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-9456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-9456
  • 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 V015-9456 available by request