1932-0029 Screening compound: ethyl 2-(2-chloroacetamido)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

1932-0029 Screening compound: ethyl 2-(2-chloroacetamido)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
1932-0029 Screening compound: ethyl 2-(2-chloroacetamido)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1932-0029
ethyl 2-(2-chloroacetamido)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

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

1932-0029

Molecular Formula

C17H17ClN2O4S (C17 H17 ClN2 O4 S)

Compound Name

ethyl 2-(2-chloroacetamido)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

IUPAC name

ethyl 2-(2-chloroacetamido)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CCl)=O)sc(C(Nc2ccccc2)=O)c1C)=O

InChI

InChI=1S/C17H17ClN2O4S/c1-3-24-17(23)13-10(2)14(25-16(13)20-12(21)9-18)15(22)19-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,19,22)(H,20,21)

InChI Key

MZTSIJRGKUSACK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01119022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.844

Distribution Coefficient, logD

-1.426

Water Solubility, LogSw

-3.30

Polar Surface Area

67.027

Acid Dissociation Constant (pKa)

3.13

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

1932-0029 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1932-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1932-0029?
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What is the minimum amount of 1932-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1932-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1932-0029
  • 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 1932-0029 available by request