2786-4474 Screening compound: ethyl 2-(4-chlorobenzamido)-5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methylthiophene-3-carboxylate

2786-4474 Screening compound: ethyl 2-(4-chlorobenzamido)-5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methylthiophene-3-carboxylate
2786-4474 Screening compound: ethyl 2-(4-chlorobenzamido)-5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2786-4474
ethyl 2-(4-chlorobenzamido)-5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methylthiophene-3-carboxylate

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

2786-4474

Molecular Formula

C25H23ClN2O6S (C25 H23 ClN2 O6 S)

Compound Name

ethyl 2-(4-chlorobenzamido)-5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methylthiophene-3-carboxylate

IUPAC name

ethyl 2-(4-chlorobenzamido)-5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)ccc2Cl)=O)sc(C(Nc(cc2)ccc2C(OCC)=O)=O)c1C)=O

InChI

InChI=1S/C25H23ClN2O6S/c1-4-33-24(31)16-8-12-18(13-9-16)27-22(30)20-14(3)19(25(32)34-5-2)23(35-20)28-21(29)15-6-10-17(26)11-7-15/h6-13H,4-5H2,1-3H3,(H,27,30)(H,28,29)

InChI Key

SPIBWHWXUWPDOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01151605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.99

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.446

Distribution Coefficient, logD

0.105

Water Solubility, LogSw

-6.22

Polar Surface Area

87.723

Acid Dissociation Constant (pKa)

2.06

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

2786-4474 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2786-4474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2786-4474?
Check Price and Availability of 2786-4474, 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 2786-4474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2786-4474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2786-4474
  • 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 2786-4474 available by request