2513-1263 Screening compound: methyl 3-(3,5-dimethylbenzamido)-4,5-dihydrothiophene-2-carboxylate

2513-1263 Screening compound: methyl 3-(3,5-dimethylbenzamido)-4,5-dihydrothiophene-2-carboxylate
2513-1263 Screening compound: methyl 3-(3,5-dimethylbenzamido)-4,5-dihydrothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-1263
methyl 3-(3,5-dimethylbenzamido)-4,5-dihydrothiophene-2-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

2513-1263

Molecular Formula

C15H17NO3S (C15 H17 NO3 S)

Compound Name

methyl 3-(3,5-dimethylbenzamido)-4,5-dihydrothiophene-2-carboxylate

IUPAC name

methyl 3-(35-dimethylbenzamido)-45-dihydrothiophene-2-carboxylate

SMILES

Cc1cc(C(NC2=C(C(OC)=O)SCC2)=O)cc(C)c1

InChI

InChI=1S/C15H17NO3S/c1-9-6-10(2)8-11(7-9)14(17)16-12-4-5-20-13(12)15(18)19-3/h6-8H,4-5H2,1-3H3,(H,16,17)

InChI Key

MSLUDEHHKMPLHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02641555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.788

Distribution Coefficient, logD

-1.021

Water Solubility, LogSw

-3.20

Polar Surface Area

44.871

Acid Dissociation Constant (pKa)

3.59

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

2513-1263 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2513-1263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2513-1263?
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What is the minimum amount of 2513-1263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-1263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-1263
  • 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 2513-1263 available by request