D347-1241 Screening compound: 5-chloro-2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1H-1,3-benzodiazole

D347-1241 Screening compound: 5-chloro-2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1H-1,3-benzodiazole
D347-1241 Screening compound: 5-chloro-2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-1241
5-chloro-2-{[5-methyl-2-(propan-2-yl)phenoxy]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

D347-1241

Molecular Formula

C18H19ClN2O (C18 H19 ClN2 O)

Compound Name

5-chloro-2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1H-1,3-benzodiazole

IUPAC name

5-chloro-2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1H-13-benzodiazole

SMILES

CC(C)c(ccc(C)c1)c1OCc1nc(cc(cc2)Cl)c2[nH]1

InChI

InChI=1S/C18H19ClN2O/c1-11(2)14-6-4-12(3)8-17(14)22-10-18-20-15-7-5-13(19)9-16(15)21-18/h4-9,11H,10H2,1-3H3,(H,20,21)

InChI Key

SVXKSGBKORVBQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09259580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.81

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.749

Distribution Coefficient, logD

5.749

Water Solubility, LogSw

-5.87

Polar Surface Area

27.834

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D347-1241 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D347-1241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-1241?
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What is the minimum amount of D347-1241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-1241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-1241
  • 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 D347-1241 available by request