C797-0034 Screening compound: N-(2-ethylphenyl)-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide

C797-0034 Screening compound: N-(2-ethylphenyl)-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide
C797-0034 Screening compound: N-(2-ethylphenyl)-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0034
N-(2-ethylphenyl)-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide

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

C797-0034

Molecular Formula

C14H14N2O3S2 (C14 H14 N2 O3 S2)

Compound Name

N-(2-ethylphenyl)-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide

IUPAC name

N-(2-ethylphenyl)-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide

SMILES

CCc(cccc1)c1NC(CSc1c([N+]([O-])=O)scc1)=O

InChI

InChI=1S/C14H14N2O3S2/c1-2-10-5-3-4-6-11(10)15-13(17)9-21-12-7-8-20-14(12)16(18)19/h3-8H,2,9H2,1H3,(H,15,17)

InChI Key

CMNDOJNUWXQITI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.338

Distribution Coefficient, logD

3.338

Water Solubility, LogSw

-3.52

Polar Surface Area

56.869

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C797-0034 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C797-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0034?
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What is the minimum amount of C797-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0034
  • 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 C797-0034 available by request