V019-3699 Screening compound: ethyl 1-ethyl-6-{[4-(3-methoxybenzoyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V019-3699 Screening compound: ethyl 1-ethyl-6-{[4-(3-methoxybenzoyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V019-3699 Screening compound: ethyl 1-ethyl-6-{[4-(3-methoxybenzoyl)piperazin-1-yl]methyl}-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-3699
ethyl 1-ethyl-6-{[4-(3-methoxybenzoyl)piperazin-1-yl]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

V019-3699

Molecular Formula

C29H33F3N4O5 (C29 H33 F3 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(CN(CC1)CCN1C(c1cc(OC)ccc1)=O)=C(C(c1ccc(C(F)(F)F)cc1)N1)C(OCC)=O)C1=O

InChI

InChI=1S/C29H33F3N4O5/c1-4-36-23(18-34-13-15-35(16-14-34)26(37)20-7-6-8-22(17-20)40-3)24(27(38)41-5-2)25(33-28(36)39)19-9-11-21(12-10-19)29(30,31)32/h6-12,17,25H,4-5,13-16,18H2,1-3H3,(H,33,39)/t25-/m0/s1

InChI Key

DLQOPOFRGYNLRY-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19811245

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

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.649

Distribution Coefficient, logD

3.204

Water Solubility, LogSw

-3.92

Polar Surface Area

76.482

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.40

V019-3699 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 V019-3699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-3699?
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What is the minimum amount of V019-3699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-3699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-3699
  • 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 V019-3699 available by request