D347-1989 Screening compound: 2-[1-(2-chlorophenoxy)ethyl]-1H-1,3-benzodiazole

D347-1989 Screening compound: 2-[1-(2-chlorophenoxy)ethyl]-1H-1,3-benzodiazole
D347-1989 Screening compound: 2-[1-(2-chlorophenoxy)ethyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-1989
2-[1-(2-chlorophenoxy)ethyl]-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

D347-1989

Molecular Formula

C15H13ClN2O (C15 H13 ClN2 O)

Compound Name

2-[1-(2-chlorophenoxy)ethyl]-1H-1,3-benzodiazole

IUPAC name

2-[1-(2-chlorophenoxy)ethyl]-1H-13-benzodiazole

SMILES

CC(c1nc(cccc2)c2[nH]1)Oc(cccc1)c1Cl

InChI

InChI=1S/C15H13ClN2O/c1-10(19-14-9-5-2-6-11(14)16)15-17-12-7-3-4-8-13(12)18-15/h2-10H,1H3,(H,17,18)/t10-/m0/s1

InChI Key

RUVUAUJGEIIWHO-JTQLQIEISA-N

MDL Number (MFCD)

MFCD13273774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.73

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.268

Distribution Coefficient, logD

4.268

Water Solubility, LogSw

-4.35

Polar Surface Area

26.134

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

D347-1989 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with D347-1989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-1989?
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What is the minimum amount of D347-1989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-1989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-1989
  • 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 D347-1989 available by request