C797-0024 Screening compound: N-(2,5-diethoxyphenyl)-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide

C797-0024 Screening compound: N-(2,5-diethoxyphenyl)-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide
C797-0024 Screening compound: N-(2,5-diethoxyphenyl)-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0024
N-(2,5-diethoxyphenyl)-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

C797-0024

Molecular Formula

C16H18N2O5S2 (C16 H18 N2 O5 S2)

Compound Name

N-(2,5-diethoxyphenyl)-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide

IUPAC name

N-(25-diethoxyphenyl)-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide

SMILES

CCOc(cc1)cc(NC(CSc2c([N+]([O-])=O)scc2)=O)c1OCC

InChI

InChI=1S/C16H18N2O5S2/c1-3-22-11-5-6-13(23-4-2)12(9-11)17-15(19)10-25-14-7-8-24-16(14)18(20)21/h5-9H,3-4,10H2,1-2H3,(H,17,19)

InChI Key

GAKHYMVBONPASF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.330

Distribution Coefficient, logD

3.330

Water Solubility, LogSw

-3.62

Polar Surface Area

71.203

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C797-0024 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C797-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0024?
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What is the minimum amount of C797-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0024
  • 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 C797-0024 available by request