6079-2037 Screening compound: N-[2-({[(2E)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}amino)ethyl]acetamide

6079-2037 Screening compound: N-[2-({[(2E)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}amino)ethyl]acetamide
6079-2037 Screening compound: N-[2-({[(2E)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}amino)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6079-2037
N-[2-({[(2E)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}amino)ethyl]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

6079-2037

Molecular Formula

C13H14N2O2S (C13 H14 N2 O2 S)

Compound Name

N-[2-({[(2E)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}amino)ethyl]acetamide

IUPAC name

N-[2-({[(2E)-3-oxo-23-dihydro-1-benzothiophen-2-ylidene]methyl}amino)ethyl]acetamide

SMILES

CC(NCCN/C=C1/Sc(cccc2)c2C1=O)=O

InChI

InChI=1S/C13H14N2O2S/c1-9(16)15-7-6-14-8-12-13(17)10-4-2-3-5-11(10)18-12/h2-5,8,14H,6-7H2,1H3,(H,15,16)

InChI Key

CHLILJKVFVWLLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03254873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.350

Distribution Coefficient, logD

0.350

Water Solubility, LogSw

-2.07

Polar Surface Area

51.071

Acid Dissociation Constant (pKa)

15.57

Base Dissociation Constant (pKb)

3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

6079-2037 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6079-2037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6079-2037?
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What is the minimum amount of 6079-2037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6079-2037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6079-2037
  • 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 6079-2037 available by request