6313-0066 Screening compound: 2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

6313-0066 Screening compound: 2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
6313-0066 Screening compound: 2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6313-0066
2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

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

6313-0066

Molecular Formula

C16H11F3N2O2S (C16 H11 F3 N2 O2 S)

Compound Name

2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-(2-oxo-23-dihydro-13-benzothiazol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CN(c(cccc1)c1S1)C1=O)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C16H11F3N2O2S/c17-16(18,19)10-5-1-2-6-11(10)20-14(22)9-21-12-7-3-4-8-13(12)24-15(21)23/h1-8H,9H2,(H,20,22)

InChI Key

YFTJLNOCYVSIAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04277458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.614

Distribution Coefficient, logD

3.614

Water Solubility, LogSw

-3.95

Polar Surface Area

38.263

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

6313-0066 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6313-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6313-0066?
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What is the minimum amount of 6313-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6313-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6313-0066
  • 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 6313-0066 available by request