C790-0046 Screening compound: ethyl 2-(2-{[(thiophen-2-yl)carbamoyl]amino}-1,3-thiazol-4-yl)acetate

C790-0046 Screening compound: ethyl 2-(2-{[(thiophen-2-yl)carbamoyl]amino}-1,3-thiazol-4-yl)acetate
C790-0046 Screening compound: ethyl 2-(2-{[(thiophen-2-yl)carbamoyl]amino}-1,3-thiazol-4-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C790-0046
ethyl 2-(2-{[(thiophen-2-yl)carbamoyl]amino}-1,3-thiazol-4-yl)acetate

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

C790-0046

Molecular Formula

C12H13N3O3S2 (C12 H13 N3 O3 S2)

Compound Name

ethyl 2-(2-{[(thiophen-2-yl)carbamoyl]amino}-1,3-thiazol-4-yl)acetate

IUPAC name

ethyl 2-(2-{[(thiophen-2-yl)carbamoyl]amino}-13-thiazol-4-yl)acetate

SMILES

CCOC(Cc1csc(NC(Nc2cccs2)=O)n1)=O

InChI

InChI=1S/C12H13N3O3S2/c1-2-18-10(16)6-8-7-20-12(13-8)15-11(17)14-9-4-3-5-19-9/h3-5,7H,2,6H2,1H3,(H2,13,14,15,17)

InChI Key

DSVBNAQOEYXDTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03056259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.883

Distribution Coefficient, logD

2.883

Water Solubility, LogSw

-3.25

Polar Surface Area

63.734

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C790-0046 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

Human Receptors Annotated Library (5376 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C790-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C790-0046?
Check Price and Availability of C790-0046, 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 C790-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C790-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C790-0046
  • 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 C790-0046 available by request