2595-1216 Screening compound: 2,4-diethyl 5-[2-(4-bromo-3-methylphenoxy)acetamido]-3-methylthiophene-2,4-dicarboxylate

2595-1216 Screening compound: 2,4-diethyl 5-[2-(4-bromo-3-methylphenoxy)acetamido]-3-methylthiophene-2,4-dicarboxylate
2595-1216 Screening compound: 2,4-diethyl 5-[2-(4-bromo-3-methylphenoxy)acetamido]-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2595-1216
2,4-diethyl 5-[2-(4-bromo-3-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

2595-1216

Molecular Formula

C20H22BrNO6S (C20 H22 BrNO6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(NC(COc(cc2)cc(C)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)10-28-13-7-8-14(21)11(3)9-13/h7-9H,5-6,10H2,1-4H3,(H,22,23)

InChI Key

UYIKRCJFAYKUGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01847846

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

4.839

Distribution Coefficient, logD

2.834

Water Solubility, LogSw

-4.81

Polar Surface Area

71.917

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

-7.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

2595-1216 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 2595-1216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2595-1216?
Check Price and Availability of 2595-1216, 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 2595-1216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2595-1216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2595-1216
  • 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 2595-1216 available by request