0588-0335 Screening compound: 2,4-diethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate

0588-0335 Screening compound: 2,4-diethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate
0588-0335 Screening compound: 2,4-diethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0588-0335
2,4-diethyl 5-(2-chloroacetamido)-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

0588-0335

Molecular Formula

C13H16ClNO5S (C13 H16 ClNO5 S)

Compound Name

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

IUPAC name

24-diethyl 5-(2-chloroacetamido)-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(CCl)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C13H16ClNO5S/c1-4-19-12(17)9-7(3)10(13(18)20-5-2)21-11(9)15-8(16)6-14/h4-6H2,1-3H3,(H,15,16)

InChI Key

AOFYGAIXNQKIHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00414318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.79

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

2.394

Distribution Coefficient, logD

-0.932

Water Solubility, LogSw

-2.70

Polar Surface Area

64.689

Acid Dissociation Constant (pKa)

4.07

Base Dissociation Constant (pKb)

-9.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

0588-0335 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0588-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0588-0335?
Check Price and Availability of 0588-0335, 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 0588-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0588-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0588-0335
  • 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 0588-0335 available by request