8013-6039 Screening compound: 4-(4-chlorophenyl)-2-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-1,3-thiazole

8013-6039 Screening compound: 4-(4-chlorophenyl)-2-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-1,3-thiazole
8013-6039 Screening compound: 4-(4-chlorophenyl)-2-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6039
4-(4-chlorophenyl)-2-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-1,3-thiazole

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

8013-6039

Molecular Formula

C24H22ClN3S (C24 H22 ClN3 S)

Compound Name

4-(4-chlorophenyl)-2-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-1,3-thiazole

IUPAC name

4-[4-(4-chlorophenyl)-13-thiazol-2-yl]-12-methyl-14-diazatetracyclo[7.6.1.0^{516}.0^{1015}]hexadeca-9(16)10(15)1113-tetraene

SMILES

Cc(cc1)cc2c1n(CC1)c3c2CCCC3N1c1nc(-c(cc2)ccc2Cl)cs1

InChI

InChI=1S/C24H22ClN3S/c1-15-5-10-21-19(13-15)18-3-2-4-22-23(18)27(21)11-12-28(22)24-26-20(14-29-24)16-6-8-17(25)9-7-16/h5-10,13-14,22H,2-4,11-12H2,1H3/t22-/m0/s1

InChI Key

KFIHHQMFQPBLST-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03767035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.98

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.159

Distribution Coefficient, logD

8.159

Water Solubility, LogSw

-6.71

Polar Surface Area

12.686

Acid Dissociation Constant (pKa)

20.16

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

8013-6039 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-6039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6039?
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What is the minimum amount of 8013-6039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6039
  • 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 8013-6039 available by request