2279-1388 Screening compound: 2,4-diethyl 5-[2-(2-bromo-4-methylphenoxy)acetamido]-3-methylthiophene-2,4-dicarboxylate

2279-1388 Screening compound: 2,4-diethyl 5-[2-(2-bromo-4-methylphenoxy)acetamido]-3-methylthiophene-2,4-dicarboxylate
2279-1388 Screening compound: 2,4-diethyl 5-[2-(2-bromo-4-methylphenoxy)acetamido]-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2279-1388
2,4-diethyl 5-[2-(2-bromo-4-methylphenoxy)acetamido]-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

2279-1388

Molecular Formula

C20H22BrNO6S (C20 H22 BrNO6 S)

Compound Name

2,4-diethyl 5-[2-(2-bromo-4-methylphenoxy)acetamido]-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 5-[2-(2-bromo-4-methylphenoxy)acetamido]-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(COc(ccc(C)c2)c2Br)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C20H22BrNO6S/c1-5-26-19(24)16-12(4)17(20(25)27-6-2)29-18(16)22-15(23)10-28-14-8-7-11(3)9-13(14)21/h7-9H,5-6,10H2,1-4H3,(H,22,23)

InChI Key

MBLMBLLTEUHDRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01462791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.634

Distribution Coefficient, logD

2.629

Water Solubility, LogSw

-4.59

Polar Surface Area

72.004

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

-8.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

2279-1388 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Eccentric PPI Library (11937 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with 2279-1388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2279-1388?
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What is the minimum amount of 2279-1388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2279-1388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2279-1388
  • 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 2279-1388 available by request