3772-5483 Screening compound: 2,4-diethyl 5-(3-chlorobenzamido)-3-methylthiophene-2,4-dicarboxylate

3772-5483 Screening compound: 2,4-diethyl 5-(3-chlorobenzamido)-3-methylthiophene-2,4-dicarboxylate
3772-5483 Screening compound: 2,4-diethyl 5-(3-chlorobenzamido)-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3772-5483
2,4-diethyl 5-(3-chlorobenzamido)-3-methylthiophene-2,4-dicarboxylate

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

3772-5483

Molecular Formula

C18H18ClNO5S (C18 H18 ClNO5 S)

Compound Name

2,4-diethyl 5-(3-chlorobenzamido)-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 5-(3-chlorobenzamido)-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(c2cccc(Cl)c2)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C18H18ClNO5S/c1-4-24-17(22)13-10(3)14(18(23)25-5-2)26-16(13)20-15(21)11-7-6-8-12(19)9-11/h6-9H,4-5H2,1-3H3,(H,20,21)

InChI Key

KJQFOQULKNKPKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01835526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.270

Distribution Coefficient, logD

-0.084

Water Solubility, LogSw

-4.77

Polar Surface Area

64.631

Acid Dissociation Constant (pKa)

3.05

Base Dissociation Constant (pKb)

-10.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

3772-5483 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 3772-5483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3772-5483?
Check Price and Availability of 3772-5483, 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 3772-5483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3772-5483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3772-5483
  • 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 3772-5483 available by request