0988-0153 Screening compound: 2,4-diethyl 5-(3-bromobenzamido)-3-methylthiophene-2,4-dicarboxylate

0988-0153 Screening compound: 2,4-diethyl 5-(3-bromobenzamido)-3-methylthiophene-2,4-dicarboxylate
0988-0153 Screening compound: 2,4-diethyl 5-(3-bromobenzamido)-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0988-0153
2,4-diethyl 5-(3-bromobenzamido)-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

0988-0153

Molecular Formula

C18H18BrNO5S (C18 H18 BrNO5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H18BrNO5S/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

RGIGKDYNNCMWSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00720100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.31

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

4.456

Distribution Coefficient, logD

0.102

Water Solubility, LogSw

-4.39

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

0988-0153 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0988-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0988-0153?
Check Price and Availability of 0988-0153, 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 0988-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0988-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0988-0153
  • 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 0988-0153 available by request