8006-4195 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methoxyphenyl)acetamide

8006-4195 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methoxyphenyl)acetamide
8006-4195 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4195
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methoxyphenyl)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

8006-4195

Molecular Formula

C16H14N2O3S (C16 H14 N2 O3 S)

Compound Name

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methoxyphenyl)acetamide

IUPAC name

2-(13-benzoxazol-2-ylsulfanyl)-N-(3-methoxyphenyl)acetamide

SMILES

COc1cccc(NC(CSc2nc(cccc3)c3o2)=O)c1

InChI

InChI=1S/C16H14N2O3S/c1-20-12-6-4-5-11(9-12)17-15(19)10-22-16-18-13-7-2-3-8-14(13)21-16/h2-9H,10H2,1H3,(H,17,19)

InChI Key

YNOVCYAIYYGEFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.36

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

3.732

Distribution Coefficient, logD

3.732

Water Solubility, LogSw

-4.03

Polar Surface Area

47.323

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8006-4195 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 8006-4195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4195?
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What is the minimum amount of 8006-4195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4195
  • 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 8006-4195 available by request