D347-0082 Screening compound: 2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole

D347-0082 Screening compound: 2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole
D347-0082 Screening compound: 2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-0082
2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole

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

D347-0082

Molecular Formula

C19H18N2OS (C19 H18 N2 OS)

Compound Name

2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole

IUPAC name

2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1-(prop-2-yn-1-yl)-1H-13-benzodiazole

SMILES

Cc(cccc1)c1OCCSc1nc(cccc2)c2n1CC#C

InChI

InChI=1S/C19H18N2OS/c1-3-12-21-17-10-6-5-9-16(17)20-19(21)23-14-13-22-18-11-7-4-8-15(18)2/h1,4-11H,12-14H2,2H3

InChI Key

STZFSJUEKUXPMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09759605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.994

Distribution Coefficient, logD

4.993

Water Solubility, LogSw

-4.75

Polar Surface Area

18.232

Acid Dissociation Constant (pKa)

22.68

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D347-0082 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D347-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-0082?
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What is the minimum amount of D347-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-0082
  • 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 D347-0082 available by request