C322-0002 Screening compound: 2,4-dimethyl 5-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]-3-methylthiophene-2,4-dicarboxylate

C322-0002 Screening compound: 2,4-dimethyl 5-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]-3-methylthiophene-2,4-dicarboxylate
C322-0002 Screening compound: 2,4-dimethyl 5-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C322-0002
2,4-dimethyl 5-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]-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

C322-0002

Molecular Formula

C20H21NO7S (C20 H21 NO7 S)

Compound Name

2,4-dimethyl 5-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-dimethyl 5-[(2E)-3-(34-dimethoxyphenyl)prop-2-enamido]-3-methylthiophene-24-dicarboxylate

SMILES

Cc1c(C(OC)=O)sc(NC(/C=C/c(cc2)cc(OC)c2OC)=O)c1C(OC)=O

InChI

InChI=1S/C20H21NO7S/c1-11-16(19(23)27-4)18(29-17(11)20(24)28-5)21-15(22)9-7-12-6-8-13(25-2)14(10-12)26-3/h6-10H,1-5H3,(H,21,22)

InChI Key

YTZLTEYWDMGBJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03375718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.296

Distribution Coefficient, logD

1.297

Water Solubility, LogSw

-3.63

Polar Surface Area

80.519

Acid Dissociation Constant (pKa)

5.41

Base Dissociation Constant (pKb)

-4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C322-0002 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C322-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C322-0002?
Check Price and Availability of C322-0002, 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 C322-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C322-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C322-0002
  • 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 C322-0002 available by request