4968-0255 Screening compound: 2,4-diethyl 5-(3-chloro-1-benzothiophene-2-amido)-3-methylthiophene-2,4-dicarboxylate

4968-0255 Screening compound: 2,4-diethyl 5-(3-chloro-1-benzothiophene-2-amido)-3-methylthiophene-2,4-dicarboxylate
4968-0255 Screening compound: 2,4-diethyl 5-(3-chloro-1-benzothiophene-2-amido)-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4968-0255
2,4-diethyl 5-(3-chloro-1-benzothiophene-2-amido)-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

4968-0255

Molecular Formula

C20H18ClNO5S2 (C20 H18 ClNO5 S2)

Compound Name

2,4-diethyl 5-(3-chloro-1-benzothiophene-2-amido)-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 5-(3-chloro-1-benzothiophene-2-amido)-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(c(sc2c3cccc2)c3Cl)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C20H18ClNO5S2/c1-4-26-19(24)13-10(3)15(20(25)27-5-2)29-18(13)22-17(23)16-14(21)11-8-6-7-9-12(11)28-16/h6-9H,4-5H2,1-3H3,(H,22,23)

InChI Key

RAMWOUIWVHPANM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02243216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.95

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

5.258

Distribution Coefficient, logD

1.566

Water Solubility, LogSw

-5.89

Polar Surface Area

65.378

Acid Dissociation Constant (pKa)

3.71

Base Dissociation Constant (pKb)

-8.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4968-0255 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4968-0255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4968-0255?
Check Price and Availability of 4968-0255, 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 4968-0255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4968-0255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4968-0255
  • 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 4968-0255 available by request