8012-9277 Screening compound: 3-(4-fluorophenyl)-1-(4-methylbenzenesulfonyl)-4-[2-(4-methylbenzenesulfonyl)-1H,2H,3H,5H,6H,10bH-imidazo[4,3-a]isoquinolin-3-yl]-1H-pyrazole

8012-9277 Screening compound: 3-(4-fluorophenyl)-1-(4-methylbenzenesulfonyl)-4-[2-(4-methylbenzenesulfonyl)-1H,2H,3H,5H,6H,10bH-imidazo[4,3-a]isoquinolin-3-yl]-1H-pyrazole
8012-9277 Screening compound: 3-(4-fluorophenyl)-1-(4-methylbenzenesulfonyl)-4-[2-(4-methylbenzenesulfonyl)-1H,2H,3H,5H,6H,10bH-imidazo[4,3-a]isoquinolin-3-yl]-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9277
3-(4-fluorophenyl)-1-(4-methylbenzenesulfonyl)-4-[2-(4-methylbenzenesulfonyl)-1H,2H,3H,5H,6H,10bH-imidazo[4,3-a]isoquinolin-3-yl]-1H-pyrazole

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

8012-9277

Molecular Formula

C34H31FN4O4S2 (C34 H31 FN4 O4 S2)

Compound Name

3-(4-fluorophenyl)-1-(4-methylbenzenesulfonyl)-4-[2-(4-methylbenzenesulfonyl)-1H,2H,3H,5H,6H,10bH-imidazo[4,3-a]isoquinolin-3-yl]-1H-pyrazole

IUPAC name

3-(4-fluorophenyl)-1-(4-methylbenzenesulfonyl)-4-[2-(4-methylbenzenesulfonyl)-1H2H3H5H6H10bH-imidazo[43-a]isoquinolin-3-yl]-1H-pyrazole

SMILES

Cc(cc1)ccc1S(N(C1)C(c(c(-c(cc2)ccc2F)n2)cn2S(c2ccc(C)cc2)(=O)=O)N(CC2)C1c1c2cccc1)(=O)=O

InChI

InChI=1S/C34H31FN4O4S2/c1-23-7-15-28(16-8-23)44(40,41)38-22-32-30-6-4-3-5-25(30)19-20-37(32)34(38)31-21-39(36-33(31)26-11-13-27(35)14-12-26)45(42,43)29-17-9-24(2)10-18-29/h3-18,21,32,34H,19-20,22H2,1-2H3

InChI Key

UZSKYILWQLPALK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

642.78

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.720

Distribution Coefficient, logD

6.720

Water Solubility, LogSw

-5.85

Polar Surface Area

77.132

Acid Dissociation Constant (pKa)

20.07

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.60

8012-9277 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8012-9277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9277?
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What is the minimum amount of 8012-9277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9277
  • 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 8012-9277 available by request