2857-1653 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

2857-1653 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
2857-1653 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2857-1653
2-(1,3-benzoxazol-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

2857-1653

Molecular Formula

C16H11F3N2O2S (C16 H11 F3 N2 O2 S)

Compound Name

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

IUPAC name

2-(13-benzoxazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CSc1nc(cccc2)c2o1)Nc1cc(C(F)(F)F)ccc1

InChI

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

InChI Key

OHIFYJAOEACYNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00692936

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

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.708

Distribution Coefficient, logD

4.708

Water Solubility, LogSw

-4.72

Polar Surface Area

39.780

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

2857-1653 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2857-1653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2857-1653?
Check Price and Availability of 2857-1653, 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 2857-1653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2857-1653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2857-1653
  • 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 2857-1653 available by request