G859-0149 Screening compound: 3-(3,5-dimethylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3,4-dihydroquinazolin-4-one

G859-0149 Screening compound: 3-(3,5-dimethylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3,4-dihydroquinazolin-4-one
G859-0149 Screening compound: 3-(3,5-dimethylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G859-0149
3-(3,5-dimethylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3,4-dihydroquinazolin-4-one

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

G859-0149

Molecular Formula

C34H31N3O2S (C34 H31 N3 O2 S)

Compound Name

3-(3,5-dimethylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3,4-dihydroquinazolin-4-one

IUPAC name

3-(35-dimethylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-7-(1234-tetrahydroisoquinoline-2-carbonyl)-34-dihydroquinazolin-4-one

SMILES

Cc1ccc(CSC(N2c3cc(C)cc(C)c3)=Nc(cc(cc3)C(N(CC4)Cc5c4cccc5)=O)c3C2=O)cc1

InChI

InChI=1S/C34H31N3O2S/c1-22-8-10-25(11-9-22)21-40-34-35-31-19-27(32(38)36-15-14-26-6-4-5-7-28(26)20-36)12-13-30(31)33(39)37(34)29-17-23(2)16-24(3)18-29/h4-13,16-19H,14-15,20-21H2,1-3H3

InChI Key

PNYCPYUQYYXILM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.71

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.376

Distribution Coefficient, logD

6.371

Water Solubility, LogSw

-5.50

Polar Surface Area

41.470

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.60

G859-0149 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G859-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G859-0149?
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What is the minimum amount of G859-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G859-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G859-0149
  • 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 G859-0149 available by request