6881-0937 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-4,7-dimethyl-3-nitro-1H-indole

6881-0937 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-4,7-dimethyl-3-nitro-1H-indole
6881-0937 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-4,7-dimethyl-3-nitro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6881-0937
2-[(4-chlorophenyl)sulfanyl]-4,7-dimethyl-3-nitro-1H-indole

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

6881-0937

Molecular Formula

C16H13ClN2O2S (C16 H13 ClN2 O2 S)

Compound Name

2-[(4-chlorophenyl)sulfanyl]-4,7-dimethyl-3-nitro-1H-indole

IUPAC name

2-[(4-chlorophenyl)sulfanyl]-47-dimethyl-3-nitro-1H-indole

SMILES

Cc1ccc(C)c([nH]2)c1c([N+]([O-])=O)c2Sc(cc1)ccc1Cl

InChI

InChI=1S/C16H13ClN2O2S/c1-9-3-4-10(2)14-13(9)15(19(20)21)16(18-14)22-12-7-5-11(17)6-8-12/h3-8,18H,1-2H3

InChI Key

IPOATKUMAIWPIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.112

Distribution Coefficient, logD

6.112

Water Solubility, LogSw

-6.38

Polar Surface Area

42.998

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-3.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

6881-0937 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 6881-0937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6881-0937?
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What is the minimum amount of 6881-0937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6881-0937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6881-0937
  • 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 6881-0937 available by request