2513-3065 Screening compound: ethyl 2-(4-benzylbenzamido)-4-methyl-1,3-thiazole-5-carboxylate

2513-3065 Screening compound: ethyl 2-(4-benzylbenzamido)-4-methyl-1,3-thiazole-5-carboxylate
2513-3065 Screening compound: ethyl 2-(4-benzylbenzamido)-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-3065
ethyl 2-(4-benzylbenzamido)-4-methyl-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

2513-3065

Molecular Formula

C21H20N2O3S (C21 H20 N2 O3 S)

Compound Name

ethyl 2-(4-benzylbenzamido)-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-(4-benzylbenzamido)-4-methyl-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(C)nc(NC(c2ccc(Cc3ccccc3)cc2)=O)s1)=O

InChI

InChI=1S/C21H20N2O3S/c1-3-26-20(25)18-14(2)22-21(27-18)23-19(24)17-11-9-16(10-12-17)13-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,22,23,24)

InChI Key

GDPUYBPZPDCYBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04407208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.912

Distribution Coefficient, logD

4.135

Water Solubility, LogSw

-4.63

Polar Surface Area

54.435

Acid Dissociation Constant (pKa)

6.70

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

2513-3065 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 2513-3065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2513-3065?
Check Price and Availability of 2513-3065, 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 2513-3065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-3065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-3065
  • 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 2513-3065 available by request