V020-0987 Screening compound: ethyl 6-{[4-(3-methoxybenzoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V020-0987 Screening compound: ethyl 6-{[4-(3-methoxybenzoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V020-0987 Screening compound: ethyl 6-{[4-(3-methoxybenzoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-0987
ethyl 6-{[4-(3-methoxybenzoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-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

V020-0987

Molecular Formula

C29H33F3N4O5 (C29 H33 F3 N4 O5)

Compound Name

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

IUPAC name

ethyl 6-{[4-(3-methoxybenzoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1ccc(C(F)(F)F)cc1)N1)=C(CN(CC2)CC(C)N2C(c2cc(OC)ccc2)=O)N(C)C1=O)=O

InChI

InChI=1S/C29H33F3N4O5/c1-5-41-27(38)24-23(34(3)28(39)33-25(24)19-9-11-21(12-10-19)29(30,31)32)17-35-13-14-36(18(2)16-35)26(37)20-7-6-8-22(15-20)40-4/h6-12,15,18,25H,5,13-14,16-17H2,1-4H3,(H,33,39)

InChI Key

RWLNVDKOXQDOIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19809486

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

574.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.716

Distribution Coefficient, logD

3.201

Water Solubility, LogSw

-4.05

Polar Surface Area

75.741

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.40

V020-0987 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 V020-0987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-0987?
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What is the minimum amount of V020-0987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-0987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-0987
  • 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 V020-0987 available by request