D347-1993 Screening compound: 2-[1-(2-chlorophenoxy)ethyl]-7-methyl-1H-1,3-benzodiazole

D347-1993 Screening compound: 2-[1-(2-chlorophenoxy)ethyl]-7-methyl-1H-1,3-benzodiazole
D347-1993 Screening compound: 2-[1-(2-chlorophenoxy)ethyl]-7-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-1993
2-[1-(2-chlorophenoxy)ethyl]-7-methyl-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

D347-1993

Molecular Formula

C16H15ClN2O (C16 H15 ClN2 O)

Compound Name

2-[1-(2-chlorophenoxy)ethyl]-7-methyl-1H-1,3-benzodiazole

IUPAC name

2-[1-(2-chlorophenoxy)ethyl]-7-methyl-1H-13-benzodiazole

SMILES

CC(c1nc(cccc2C)c2[nH]1)Oc(cccc1)c1Cl

InChI

InChI=1S/C16H15ClN2O/c1-10-6-5-8-13-15(10)19-16(18-13)11(2)20-14-9-4-3-7-12(14)17/h3-9,11H,1-2H3,(H,18,19)/t11-/m0/s1

InChI Key

IFYQJCWCCIOQLI-NSHDSACASA-N

MDL Number (MFCD)

MFCD14821155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.76

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

4.781

Distribution Coefficient, logD

4.780

Water Solubility, LogSw

-4.82

Polar Surface Area

26.904

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

4.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

D347-1993 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D347-1993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-1993?
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What is the minimum amount of D347-1993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-1993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-1993
  • 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 D347-1993 available by request