2513-1272 Screening compound: methyl 3-(3-chlorobenzamido)-4,5-dihydrothiophene-2-carboxylate

2513-1272 Screening compound: methyl 3-(3-chlorobenzamido)-4,5-dihydrothiophene-2-carboxylate
2513-1272 Screening compound: methyl 3-(3-chlorobenzamido)-4,5-dihydrothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-1272
methyl 3-(3-chlorobenzamido)-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

2513-1272

Molecular Formula

C13H12ClNO3S (C13 H12 ClNO3 S)

Compound Name

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

IUPAC name

methyl 3-(3-chlorobenzamido)-45-dihydrothiophene-2-carboxylate

SMILES

COC(C(SCC1)=C1NC(c1cccc(Cl)c1)=O)=O

InChI

InChI=1S/C13H12ClNO3S/c1-18-13(17)11-10(5-6-19-11)15-12(16)8-3-2-4-9(14)7-8/h2-4,7H,5-6H2,1H3,(H,15,16)

InChI Key

OZWSSPFQAFRTES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02641559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.76

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

2.600

Distribution Coefficient, logD

-1.031

Water Solubility, LogSw

-3.46

Polar Surface Area

44.871

Acid Dissociation Constant (pKa)

3.77

Base Dissociation Constant (pKb)

-4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

2513-1272 in Drug Discovery

Included in Screening Libraries

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

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2513-1272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2513-1272?
Check Price and Availability of 2513-1272, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2513-1272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-1272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-1272
  • 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 2513-1272 available by request