1186-0103 Screening compound: ethyl 2-(4-benzoylbenzamido)-4-phenyl-1,3-thiazole-5-carboxylate

1186-0103 Screening compound: ethyl 2-(4-benzoylbenzamido)-4-phenyl-1,3-thiazole-5-carboxylate
1186-0103 Screening compound: ethyl 2-(4-benzoylbenzamido)-4-phenyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1186-0103
ethyl 2-(4-benzoylbenzamido)-4-phenyl-1,3-thiazole-5-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

1186-0103

Molecular Formula

C26H20N2O4S (C26 H20 N2 O4 S)

Compound Name

ethyl 2-(4-benzoylbenzamido)-4-phenyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-(4-benzoylbenzamido)-4-phenyl-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(-c2ccccc2)nc(NC(c(cc2)ccc2C(c2ccccc2)=O)=O)s1)=O

InChI

InChI=1S/C26H20N2O4S/c1-2-32-25(31)23-21(17-9-5-3-6-10-17)27-26(33-23)28-24(30)20-15-13-19(14-16-20)22(29)18-11-7-4-8-12-18/h3-16H,2H2,1H3,(H,27,28,30)

InChI Key

UYWPAZDGHDPKGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.52

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

5.612

Distribution Coefficient, logD

5.606

Water Solubility, LogSw

-5.56

Polar Surface Area

68.096

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

1186-0103 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1186-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1186-0103?
Check Price and Availability of 1186-0103, 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 1186-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1186-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1186-0103
  • 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 1186-0103 available by request