D347-0254 Screening compound: 2-({2-[2-(prop-2-en-1-yl)phenoxy]ethyl}sulfanyl)-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole

D347-0254 Screening compound: 2-({2-[2-(prop-2-en-1-yl)phenoxy]ethyl}sulfanyl)-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole
D347-0254 Screening compound: 2-({2-[2-(prop-2-en-1-yl)phenoxy]ethyl}sulfanyl)-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-0254
2-({2-[2-(prop-2-en-1-yl)phenoxy]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

D347-0254

Molecular Formula

C21H20N2OS (C21 H20 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

C=CCc(cccc1)c1OCCSc1nc(cccc2)c2n1CC#C

InChI

InChI=1S/C21H20N2OS/c1-3-9-17-10-5-8-13-20(17)24-15-16-25-21-22-18-11-6-7-12-19(18)23(21)14-4-2/h2-3,5-8,10-13H,1,9,14-16H2

InChI Key

IWODFTMSLIDCNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.534

Distribution Coefficient, logD

5.533

Water Solubility, LogSw

-5.92

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

19.00

D347-0254 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D347-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-0254?
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What is the minimum amount of D347-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-0254
  • 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 D347-0254 available by request