3329-3157 Screening compound: 1-(5-nitrothiophene-2-carbonyl)-2,3-dihydro-1H-indole

3329-3157 Screening compound: 1-(5-nitrothiophene-2-carbonyl)-2,3-dihydro-1H-indole
3329-3157 Screening compound: 1-(5-nitrothiophene-2-carbonyl)-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3329-3157
1-(5-nitrothiophene-2-carbonyl)-2,3-dihydro-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

3329-3157

Molecular Formula

C13H10N2O3S (C13 H10 N2 O3 S)

Compound Name

1-(5-nitrothiophene-2-carbonyl)-2,3-dihydro-1H-indole

IUPAC name

1-(5-nitrothiophene-2-carbonyl)-23-dihydro-1H-indole

SMILES

[O-][N+](c1ccc(C(N(CC2)c3c2cccc3)=O)s1)=O

InChI

InChI=1S/C13H10N2O3S/c16-13(11-5-6-12(19-11)15(17)18)14-8-7-9-3-1-2-4-10(9)14/h1-6H,7-8H2

InChI Key

IWEFVEJXFAQKMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02926908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.245

Distribution Coefficient, logD

3.245

Water Solubility, LogSw

-3.50

Polar Surface Area

50.669

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

3329-3157 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3329-3157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3329-3157?
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What is the minimum amount of 3329-3157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3329-3157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3329-3157
  • 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 3329-3157 available by request