8012-9474 Screening compound: 5-(4-methoxyphenyl)-2-phenyl-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1,5-b]beta-carbolin-1-one

8012-9474 Screening compound: 5-(4-methoxyphenyl)-2-phenyl-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1,5-b]beta-carbolin-1-one
8012-9474 Screening compound: 5-(4-methoxyphenyl)-2-phenyl-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1,5-b]beta-carbolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9474
5-(4-methoxyphenyl)-2-phenyl-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1,5-b]beta-carbolin-1-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

8012-9474

Molecular Formula

C26H21N3O2S (C26 H21 N3 O2 S)

Compound Name

5-(4-methoxyphenyl)-2-phenyl-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1,5-b]beta-carbolin-1-one

IUPAC name

10-(4-methoxyphenyl)-13-phenyl-12-sulfanylidene-81113-triazatetracyclo[7.7.0.0^{27}.0^{1115}]hexadeca-1(9)2(7)35-tetraen-14-one

SMILES

COc1ccc(C(c2c(CC3C(N4c5ccccc5)=O)c(cccc5)c5[nH]2)N3C4=S)cc1

InChI

InChI=1S/C26H21N3O2S/c1-31-18-13-11-16(12-14-18)24-23-20(19-9-5-6-10-21(19)27-23)15-22-25(30)28(26(32)29(22)24)17-7-3-2-4-8-17/h2-14,22,24,27H,15H2,1H3

InChI Key

KKOZURZYSBTTFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02373919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.351

Distribution Coefficient, logD

4.351

Water Solubility, LogSw

-4.42

Polar Surface Area

35.777

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

-3.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

15.40

8012-9474 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-9474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9474?
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What is the minimum amount of 8012-9474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9474
  • 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 8012-9474 available by request