G859-0145 Screening compound: 2-{[3-(3,5-dimethylphenyl)-4-oxo-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile

G859-0145 Screening compound: 2-{[3-(3,5-dimethylphenyl)-4-oxo-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile
G859-0145 Screening compound: 2-{[3-(3,5-dimethylphenyl)-4-oxo-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound G859-0145
2-{[3-(3,5-dimethylphenyl)-4-oxo-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile

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

G859-0145

Molecular Formula

C28H24N4O2S (C28 H24 N4 O2 S)

Compound Name

2-{[3-(3,5-dimethylphenyl)-4-oxo-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile

IUPAC name

2-{[3-(35-dimethylphenyl)-4-oxo-7-(1234-tetrahydroisoquinoline-2-carbonyl)-34-dihydroquinazolin-2-yl]sulfanyl}acetonitrile

SMILES

Cc1cc(N2C(SCC#N)=Nc(cc(cc3)C(N(CC4)Cc5c4cccc5)=O)c3C2=O)cc(C)c1

InChI

InChI=1S/C28H24N4O2S/c1-18-13-19(2)15-23(14-18)32-27(34)24-8-7-21(16-25(24)30-28(32)35-12-10-29)26(33)31-11-9-20-5-3-4-6-22(20)17-31/h3-8,13-16H,9,11-12,17H2,1-2H3

InChI Key

ZKGJOZQMXVRPQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.216

Distribution Coefficient, logD

4.211

Water Solubility, LogSw

-4.20

Polar Surface Area

59.233

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

G859-0145 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 G859-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G859-0145?
Check Price and Availability of G859-0145, 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 G859-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G859-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G859-0145
  • 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 G859-0145 available by request