G859-0061 Screening compound: 2-(benzylsulfanyl)-3-(3-fluorophenyl)-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3,4-dihydroquinazolin-4-one

G859-0061 Screening compound: 2-(benzylsulfanyl)-3-(3-fluorophenyl)-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3,4-dihydroquinazolin-4-one
G859-0061 Screening compound: 2-(benzylsulfanyl)-3-(3-fluorophenyl)-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G859-0061
2-(benzylsulfanyl)-3-(3-fluorophenyl)-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

G859-0061

Molecular Formula

C31H24FN3O2S (C31 H24 FN3 O2 S)

Compound Name

2-(benzylsulfanyl)-3-(3-fluorophenyl)-7-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-3,4-dihydroquinazolin-4-one

IUPAC name

2-(benzylsulfanyl)-3-(3-fluorophenyl)-7-(1234-tetrahydroisoquinoline-2-carbonyl)-34-dihydroquinazolin-4-one

SMILES

O=C(c(cc1)cc(N=C(N2c3cc(F)ccc3)SCc3ccccc3)c1C2=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C31H24FN3O2S/c32-25-11-6-12-26(18-25)35-30(37)27-14-13-23(29(36)34-16-15-22-9-4-5-10-24(22)19-34)17-28(27)33-31(35)38-20-21-7-2-1-3-8-21/h1-14,17-18H,15-16,19-20H2

InChI Key

HTHUPCXOLFKBJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.61

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

4.993

Distribution Coefficient, logD

4.992

Water Solubility, LogSw

-4.92

Polar Surface Area

41.470

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

G859-0061 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with G859-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G859-0061?
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What is the minimum amount of G859-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G859-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G859-0061
  • 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 G859-0061 available by request