2683-0177 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

2683-0177 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
2683-0177 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2683-0177
2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-[3-(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

2683-0177

Molecular Formula

C16H12F3N3OS (C16 H12 F3 N3 OS)

Compound Name

2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-(1H-13-benzodiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CSc1nc(cccc2)c2[nH]1)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C16H12F3N3OS/c17-16(18,19)10-4-3-5-11(8-10)20-14(23)9-24-15-21-12-6-1-2-7-13(12)22-15/h1-8H,9H2,(H,20,23)(H,21,22)

InChI Key

OOJLBSXBDXJZJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00692918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.897

Distribution Coefficient, logD

3.896

Water Solubility, LogSw

-4.23

Polar Surface Area

41.129

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

2683-0177 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2683-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2683-0177?
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What is the minimum amount of 2683-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2683-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2683-0177
  • 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 2683-0177 available by request