2513-1261 Screening compound: methyl 3-[(4-methoxybenzoyl)amino]-4,5-dihydro-2-thiophenecarboxylate

2513-1261 Screening compound: methyl 3-[(4-methoxybenzoyl)amino]-4,5-dihydro-2-thiophenecarboxylate
2513-1261 Screening compound: methyl 3-[(4-methoxybenzoyl)amino]-4,5-dihydro-2-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-1261
methyl 3-[(4-methoxybenzoyl)amino]-4,5-dihydro-2-thiophenecarboxylate

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

2513-1261

Molecular Formula

C14H15NO4S (C14 H15 NO4 S)

Compound Name

methyl 3-[(4-methoxybenzoyl)amino]-4,5-dihydro-2-thiophenecarboxylate

IUPAC name

methyl 3-(4-methoxybenzamido)-45-dihydrothiophene-2-carboxylate

SMILES

COC(C(SCC1)=C1NC(c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C14H15NO4S/c1-18-10-5-3-9(4-6-10)13(16)15-11-7-8-20-12(11)14(17)19-2/h3-6H,7-8H2,1-2H3,(H,15,16)

InChI Key

VFTFSLXEFBSRRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02926690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.920

Distribution Coefficient, logD

-0.510

Water Solubility, LogSw

-2.50

Polar Surface Area

52.414

Acid Dissociation Constant (pKa)

4.97

Base Dissociation Constant (pKb)

-3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with 2513-1261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2513-1261?
Check Price and Availability of 2513-1261, 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 2513-1261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-1261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-1261
  • 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 2513-1261 available by request