D670-0165 Screening compound: 2-[(4-chloro-3-methylphenoxy)methyl]-5,7-dimethyl-1H-1,3-benzodiazole

D670-0165 Screening compound: 2-[(4-chloro-3-methylphenoxy)methyl]-5,7-dimethyl-1H-1,3-benzodiazole
D670-0165 Screening compound: 2-[(4-chloro-3-methylphenoxy)methyl]-5,7-dimethyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D670-0165
2-[(4-chloro-3-methylphenoxy)methyl]-5,7-dimethyl-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

D670-0165

Molecular Formula

C17H17ClN2O (C17 H17 ClN2 O)

Compound Name

2-[(4-chloro-3-methylphenoxy)methyl]-5,7-dimethyl-1H-1,3-benzodiazole

IUPAC name

2-[(4-chloro-3-methylphenoxy)methyl]-57-dimethyl-1H-13-benzodiazole

SMILES

Cc(cc1C)cc2c1[nH]c(COc(cc1)cc(C)c1Cl)n2

InChI

InChI=1S/C17H17ClN2O/c1-10-6-12(3)17-15(7-10)19-16(20-17)9-21-13-4-5-14(18)11(2)8-13/h4-8H,9H2,1-3H3,(H,19,20)

InChI Key

MTALIKFPWXCTDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.79

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

5.489

Distribution Coefficient, logD

5.489

Water Solubility, LogSw

-5.97

Polar Surface Area

28.518

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D670-0165 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D670-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D670-0165?
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What is the minimum amount of D670-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D670-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D670-0165
  • 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 D670-0165 available by request