V023-2831 Screening compound: 4-(6-oxo-4-{[4-(2-phenylethyl)piperazin-1-yl]methyl}-1,6-dihydropyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

V023-2831 Screening compound: 4-(6-oxo-4-{[4-(2-phenylethyl)piperazin-1-yl]methyl}-1,6-dihydropyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
V023-2831 Screening compound: 4-(6-oxo-4-{[4-(2-phenylethyl)piperazin-1-yl]methyl}-1,6-dihydropyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-2831
4-(6-oxo-4-{[4-(2-phenylethyl)piperazin-1-yl]methyl}-1,6-dihydropyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

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

V023-2831

Molecular Formula

C29H34F3N7O2 (C29 H34 F3 N7 O2)

Compound Name

4-(6-oxo-4-{[4-(2-phenylethyl)piperazin-1-yl]methyl}-1,6-dihydropyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

IUPAC name

4-(6-oxo-4-{[4-(2-phenylethyl)piperazin-1-yl]methyl}-16-dihydropyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

SMILES

O=C(Nc1cccc(C(F)(F)F)c1)N(CC1)CCN1C(N1)=NC(CN2CCN(CCc3ccccc3)CC2)=CC1=O

InChI

InChI=1S/C29H34F3N7O2/c30-29(31,32)23-7-4-8-24(19-23)34-28(41)39-17-15-38(16-18-39)27-33-25(20-26(40)35-27)21-37-13-11-36(12-14-37)10-9-22-5-2-1-3-6-22/h1-8,19-20H,9-18,21H2,(H,34,41)(H,33,35,40)

InChI Key

QKYLTPJMTZLPDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19859983

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

569.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.285

Distribution Coefficient, logD

1.604

Water Solubility, LogSw

-3.57

Polar Surface Area

70.891

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

8.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

V023-2831 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 V023-2831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-2831?
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What is the minimum amount of V023-2831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-2831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-2831
  • 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 V023-2831 available by request