V005-4398 Screening compound: ethyl 6-[(4-cyclopentanecarbonyl-3-methylpiperazin-1-yl)methyl]-4-(2,3-dichlorophenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V005-4398 Screening compound: ethyl 6-[(4-cyclopentanecarbonyl-3-methylpiperazin-1-yl)methyl]-4-(2,3-dichlorophenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V005-4398 Screening compound: ethyl 6-[(4-cyclopentanecarbonyl-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 V005-4398
ethyl 6-[(4-cyclopentanecarbonyl-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

V005-4398

Molecular Formula

C27H36Cl2N4O4 (C27 H36 Cl2 N4 O4)

Compound Name

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

SMILES

CCN(C(CN(CC1)CC(C)N1C(C1CCCC1)=O)=C(C(c1cccc(Cl)c1Cl)N1)C(OCC)=O)C1=O

InChI

InChI=1S/C27H36Cl2N4O4/c1-4-32-21(16-31-13-14-33(17(3)15-31)25(34)18-9-6-7-10-18)22(26(35)37-5-2)24(30-27(32)36)19-11-8-12-20(28)23(19)29/h8,11-12,17-18,24H,4-7,9-10,13-16H2,1-3H3,(H,30,36)

InChI Key

KEFMHRNNWIALOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19820058

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

551.51

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

4.782

Distribution Coefficient, logD

3.942

Water Solubility, LogSw

-4.81

Polar Surface Area

68.714

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

8.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

59.30

References: we are preparing a list of scientific research reports with V005-4398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-4398?
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What is the minimum amount of V005-4398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-4398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-4398
  • 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 V005-4398 available by request