V020-3342 Screening compound: ethyl 4-(4-chlorophenyl)-1-methyl-6-({3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V020-3342 Screening compound: ethyl 4-(4-chlorophenyl)-1-methyl-6-({3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V020-3342 Screening compound: ethyl 4-(4-chlorophenyl)-1-methyl-6-({3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-3342
ethyl 4-(4-chlorophenyl)-1-methyl-6-({3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}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

V020-3342

Molecular Formula

C28H30ClF3N4O4 (C28 H30 ClF3 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c(cc1)ccc1Cl)N1)=C(CN(CC2)CC(C)N2C(c2ccc(C(F)(F)F)cc2)=O)N(C)C1=O)=O

InChI

InChI=1S/C28H30ClF3N4O4/c1-4-40-26(38)23-22(34(3)27(39)33-24(23)18-7-11-21(29)12-8-18)16-35-13-14-36(17(2)15-35)25(37)19-5-9-20(10-6-19)28(30,31)32/h5-12,17,24H,4,13-16H2,1-3H3,(H,33,39)

InChI Key

KVKMEFUIWZRXNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19812570

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

579.02

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

4.332

Distribution Coefficient, logD

3.818

Water Solubility, LogSw

-4.72

Polar Surface Area

68.197

Acid Dissociation Constant (pKa)

8.79

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.30

V020-3342 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V020-3342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-3342?
Check Price and Availability of V020-3342, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V020-3342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-3342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-3342
  • 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 V020-3342 available by request