8018-9134 Screening compound: 1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-[(2-methyl-4-quinazolinyl)sulfanyl]-1-ethanone

8018-9134 Screening compound: 1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-[(2-methyl-4-quinazolinyl)sulfanyl]-1-ethanone
8018-9134 Screening compound: 1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-[(2-methyl-4-quinazolinyl)sulfanyl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9134
1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-[(2-methyl-4-quinazolinyl)sulfanyl]-1-ethanone

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

8018-9134

Molecular Formula

C24H26N4OS (C24 H26 N4 OS)

Compound Name

1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-[(2-methyl-4-quinazolinyl)sulfanyl]-1-ethanone

IUPAC name

1-{28-dimethyl-1H2H3H4H4aH5H9bH-pyrido[43-b]indol-5-yl}-2-[(2-methylquinazolin-4-yl)sulfanyl]ethan-1-one

SMILES

Cc(cc1)cc(C2C3CCN(C)C2)c1N3C(CSc1nc(C)nc2ccccc12)=O

InChI

InChI=1S/C24H26N4OS/c1-15-8-9-21-18(12-15)19-13-27(3)11-10-22(19)28(21)23(29)14-30-24-17-6-4-5-7-20(17)25-16(2)26-24/h4-9,12,19,22H,10-11,13-14H2,1-3H3

InChI Key

WPRFCXGUCIRKHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.248

Distribution Coefficient, logD

1.512

Water Solubility, LogSw

-3.48

Polar Surface Area

35.694

Acid Dissociation Constant (pKa)

18.11

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

8018-9134 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Agro:
  • Agro
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with 8018-9134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9134?
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What is the minimum amount of 8018-9134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9134
  • 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 8018-9134 available by request