D058-0194 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(furan-2-yl)methyl]acetamide

D058-0194 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(furan-2-yl)methyl]acetamide
D058-0194 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D058-0194
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(furan-2-yl)methyl]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

D058-0194

Molecular Formula

C14H12N2O3S (C14 H12 N2 O3 S)

Compound Name

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(furan-2-yl)methyl]acetamide

IUPAC name

2-(13-benzoxazol-2-ylsulfanyl)-N-[(furan-2-yl)methyl]acetamide

SMILES

O=C(CSc1nc(cccc2)c2o1)NCc1ccco1

InChI

InChI=1S/C14H12N2O3S/c17-13(15-8-10-4-3-7-18-10)9-20-14-16-11-5-1-2-6-12(11)19-14/h1-7H,8-9H2,(H,15,17)

InChI Key

RLBPGIMQROMJEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00423434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.097

Distribution Coefficient, logD

3.097

Water Solubility, LogSw

-3.19

Polar Surface Area

48.850

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D058-0194 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D058-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D058-0194?
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What is the minimum amount of D058-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D058-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D058-0194
  • 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 D058-0194 available by request