D670-0095 Screening compound: 5,6-dichloro-2-[(2-methylphenoxy)methyl]-1H-1,3-benzodiazole

D670-0095 Screening compound: 5,6-dichloro-2-[(2-methylphenoxy)methyl]-1H-1,3-benzodiazole
D670-0095 Screening compound: 5,6-dichloro-2-[(2-methylphenoxy)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D670-0095
5,6-dichloro-2-[(2-methylphenoxy)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

D670-0095

Molecular Formula

C15H12Cl2N2O (C15 H12 Cl2 N2 O)

Compound Name

5,6-dichloro-2-[(2-methylphenoxy)methyl]-1H-1,3-benzodiazole

IUPAC name

56-dichloro-2-[(2-methylphenoxy)methyl]-1H-13-benzodiazole

SMILES

Cc(cccc1)c1OCc([nH]c1c2)nc1cc(Cl)c2Cl

InChI

InChI=1S/C15H12Cl2N2O/c1-9-4-2-3-5-14(9)20-8-15-18-12-6-10(16)11(17)7-13(12)19-15/h2-7H,8H2,1H3,(H,18,19)

InChI Key

CYSVRHHLKVZQQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.18

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

5.211

Distribution Coefficient, logD

5.211

Water Solubility, LogSw

-5.72

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

13.30

D670-0095 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D670-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D670-0095?
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What is the minimum amount of D670-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D670-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D670-0095
  • 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 D670-0095 available by request