V021-7238 Screening compound: 3-{2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carbonyl}benzonitrile

V021-7238 Screening compound: 3-{2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carbonyl}benzonitrile
V021-7238 Screening compound: 3-{2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carbonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-7238
3-{2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carbonyl}benzonitrile

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

V021-7238

Molecular Formula

C30H27N5O2 (C30 H27 N5 O2)

Compound Name

3-{2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carbonyl}benzonitrile

IUPAC name

3-{2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-5H6H7H8H-pyrido[43-d]pyrimidine-6-carbonyl}benzonitrile

SMILES

Cc(cc1)ccc1Oc1c(CN(CC2)C(c3cc(C#N)ccc3)=O)c2nc(N(C)Cc2ccccc2)n1

InChI

InChI=1S/C30H27N5O2/c1-21-11-13-25(14-12-21)37-28-26-20-35(29(36)24-10-6-9-23(17-24)18-31)16-15-27(26)32-30(33-28)34(2)19-22-7-4-3-5-8-22/h3-14,17H,15-16,19-20H2,1-2H3

InChI Key

MDBAVKAEOPXFAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19934206

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

489.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.457

Distribution Coefficient, logD

5.457

Water Solubility, LogSw

-5.54

Polar Surface Area

63.064

Acid Dissociation Constant (pKa)

19.59

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V021-7238 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V021-7238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-7238?
Check Price and Availability of V021-7238, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V021-7238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-7238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-7238
  • 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 V021-7238 available by request