V014-5611 Screening compound: 6-(4-chlorobenzoyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-amine

V014-5611 Screening compound: 6-(4-chlorobenzoyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-amine
V014-5611 Screening compound: 6-(4-chlorobenzoyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-5611
6-(4-chlorobenzoyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-amine

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

V014-5611

Molecular Formula

C26H28ClFN6O (C26 H28 ClFN6 O)

Compound Name

6-(4-chlorobenzoyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-amine

IUPAC name

6-(4-chlorobenzoyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-NN-dimethyl-5H6H7H8H-pyrido[43-d]pyrimidin-4-amine

SMILES

CN(C)c1c(CN(CC2)C(c(cc3)ccc3Cl)=O)c2nc(N(CC2)CCN2c(cc2)ccc2F)n1

InChI

InChI=1S/C26H28ClFN6O/c1-31(2)24-22-17-34(25(35)18-3-5-19(27)6-4-18)12-11-23(22)29-26(30-24)33-15-13-32(14-16-33)21-9-7-20(28)8-10-21/h3-10H,11-17H2,1-2H3

InChI Key

LSURFCOWZZVBMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19908616

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

495

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.606

Distribution Coefficient, logD

4.578

Water Solubility, LogSw

-4.83

Polar Surface Area

44.998

Acid Dissociation Constant (pKa)

20.03

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

V014-5611 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V014-5611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-5611?
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What is the minimum amount of V014-5611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-5611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-5611
  • 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 V014-5611 available by request