V016-9493 Screening compound: 4-(2-fluorophenoxy)-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxamide

V016-9493 Screening compound: 4-(2-fluorophenoxy)-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxamide
V016-9493 Screening compound: 4-(2-fluorophenoxy)-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9493
4-(2-fluorophenoxy)-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-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

V016-9493

Molecular Formula

C26H29FN6O2 (C26 H29 FN6 O2)

Compound Name

4-(2-fluorophenoxy)-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxamide

IUPAC name

4-(2-fluorophenoxy)-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5H6H7H8H-pyrido[43-d]pyrimidine-6-carboxamide

SMILES

Cc(cc1)ccc1NC(N(CC1)Cc2c1nc(N1CCN(C)CC1)nc2Oc(cccc1)c1F)=O

InChI

InChI=1S/C26H29FN6O2/c1-18-7-9-19(10-8-18)28-26(34)33-12-11-22-20(17-33)24(35-23-6-4-3-5-21(23)27)30-25(29-22)32-15-13-31(2)14-16-32/h3-10H,11-17H2,1-2H3,(H,28,34)

InChI Key

DLWSUFVSYIGIOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19933539

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

476.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.522

Distribution Coefficient, logD

3.950

Water Solubility, LogSw

-4.35

Polar Surface Area

58.889

Acid Dissociation Constant (pKa)

14.10

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.62

V016-9493 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

BRD4 Targeted Library (4534 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with V016-9493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9493?
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What is the minimum amount of V016-9493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9493
  • 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 V016-9493 available by request