A0015636 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3,5-dimethylphenyl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide

A0015636 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3,5-dimethylphenyl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide
A0015636 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3,5-dimethylphenyl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0015636
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3,5-dimethylphenyl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-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

A0015636

Molecular Formula

C30H24ClN3O2S (C30 H24 ClN3 O2 S)

Compound Name

2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3,5-dimethylphenyl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(35-dimethylphenyl)-4-oxo-3-phenyl-34-dihydroquinazoline-7-carboxamide

SMILES

Cc1cc(NC(c(cc2)cc(N=C(N3c4ccccc4)SCc4cccc(Cl)c4)c2C3=O)=O)cc(C)c1

InChI

InChI=1S/C30H24ClN3O2S/c1-19-13-20(2)15-24(14-19)32-28(35)22-11-12-26-27(17-22)33-30(37-18-21-7-6-8-23(31)16-21)34(29(26)36)25-9-4-3-5-10-25/h3-17H,18H2,1-2H3,(H,32,35)

InChI Key

ZHLWAFNZVAHNGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.06

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.555

Distribution Coefficient, logD

6.555

Water Solubility, LogSw

-6.07

Polar Surface Area

48.251

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

A0015636 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with A0015636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0015636?
Check Price and Availability of A0015636, 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 A0015636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0015636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0015636
  • 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 A0015636 available by request