2513-0213 Screening compound: N-(5,5-DIMETHYL-7-OXO-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOL-2-YL)-3-(TRIFLUOROMETHYL)BENZAMIDE

2513-0213 Screening compound: N-(5,5-DIMETHYL-7-OXO-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOL-2-YL)-3-(TRIFLUOROMETHYL)BENZAMIDE
2513-0213 Screening compound: N-(5,5-DIMETHYL-7-OXO-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOL-2-YL)-3-(TRIFLUOROMETHYL)BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-0213
N-(5,5-DIMETHYL-7-OXO-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOL-2-YL)-3-(TRIFLUOROMETHYL)BENZAMIDE

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

2513-0213

Molecular Formula

C17H15F3N2O2S (C17 H15 F3 N2 O2 S)

Compound Name

N-(5,5-DIMETHYL-7-OXO-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOL-2-YL)-3-(TRIFLUOROMETHYL)BENZAMIDE

IUPAC name

N-(55-dimethyl-7-oxo-4567-tetrahydro-13-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide

SMILES

CC(C)(Cc1c2sc(NC(c3cc(C(F)(F)F)ccc3)=O)n1)CC2=O

InChI

InChI=1S/C17H15F3N2O2S/c1-16(2)7-11-13(12(23)8-16)25-15(21-11)22-14(24)9-4-3-5-10(6-9)17(18,19)20/h3-6H,7-8H2,1-2H3,(H,21,22,24)

InChI Key

RGJCZVJTCNHAOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00170416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.244

Distribution Coefficient, logD

2.393

Water Solubility, LogSw

-4.48

Polar Surface Area

48.045

Acid Dissociation Constant (pKa)

5.56

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

2513-0213 in Drug Discovery

Included in Screening Libraries

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:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2513-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2513-0213?
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What is the minimum amount of 2513-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-0213
  • 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 2513-0213 available by request