4181-4240 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-1-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethan-1-one

4181-4240 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-1-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethan-1-one
4181-4240 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-1-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4181-4240
2-[(4-chlorophenyl)sulfanyl]-1-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethan-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

4181-4240

Molecular Formula

C20H18ClNOS (C20 H18 ClNOS)

Compound Name

2-[(4-chlorophenyl)sulfanyl]-1-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethan-1-one

IUPAC name

2-[(4-chlorophenyl)sulfanyl]-1-(2349-tetrahydro-1H-carbazol-9-yl)ethan-1-one

SMILES

O=C(CSc(cc1)ccc1Cl)n1c(cccc2)c2c2c1CCCC2

InChI

InChI=1S/C20H18ClNOS/c21-14-9-11-15(12-10-14)24-13-20(23)22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1,3,5,7,9-12H,2,4,6,8,13H2

InChI Key

JUAXAFLYELTOOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02242606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.89

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.330

Distribution Coefficient, logD

5.330

Water Solubility, LogSw

-5.99

Polar Surface Area

14.756

Acid Dissociation Constant (pKa)

19.35

Base Dissociation Constant (pKb)

-6.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4181-4240 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 4181-4240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4181-4240?
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What is the minimum amount of 4181-4240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4181-4240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4181-4240
  • 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 4181-4240 available by request