3772-3503 Screening compound: 2,4-diethyl 5-[2-(3-bromophenoxy)acetamido]-3-methylthiophene-2,4-dicarboxylate

3772-3503 Screening compound: 2,4-diethyl 5-[2-(3-bromophenoxy)acetamido]-3-methylthiophene-2,4-dicarboxylate
3772-3503 Screening compound: 2,4-diethyl 5-[2-(3-bromophenoxy)acetamido]-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3772-3503
2,4-diethyl 5-[2-(3-bromophenoxy)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

3772-3503

Molecular Formula

C19H20BrNO6S (C19 H20 BrNO6 S)

Compound Name

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

IUPAC name

24-diethyl 5-[2-(3-bromophenoxy)acetamido]-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(COc2cccc(Br)c2)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C19H20BrNO6S/c1-4-25-18(23)15-11(3)16(19(24)26-5-2)28-17(15)21-14(22)10-27-13-8-6-7-12(20)9-13/h6-9H,4-5,10H2,1-3H3,(H,21,22)

InChI Key

MOCOOZUFVOFQBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02339714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.34

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

4.381

Distribution Coefficient, logD

2.377

Water Solubility, LogSw

-4.45

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

31.60

3772-3503 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3772-3503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3772-3503?
Check Price and Availability of 3772-3503, 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 3772-3503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3772-3503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3772-3503
  • 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 3772-3503 available by request