D010-0004 Screening compound: N-[(3,4-dichlorophenyl)methyl]-1-methyl-1H-1,3-benzodiazol-2-amine

D010-0004 Screening compound: N-[(3,4-dichlorophenyl)methyl]-1-methyl-1H-1,3-benzodiazol-2-amine
D010-0004 Screening compound: N-[(3,4-dichlorophenyl)methyl]-1-methyl-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D010-0004
N-[(3,4-dichlorophenyl)methyl]-1-methyl-1H-1,3-benzodiazol-2-amine

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

D010-0004

Molecular Formula

C15H13Cl2N3 (C15 H13 Cl2 N3)

Compound Name

N-[(3,4-dichlorophenyl)methyl]-1-methyl-1H-1,3-benzodiazol-2-amine

IUPAC name

N-[(34-dichlorophenyl)methyl]-1-methyl-1H-13-benzodiazol-2-amine

SMILES

Cn1c(NCc(cc2)cc(Cl)c2Cl)nc2c1cccc2

InChI

InChI=1S/C15H13Cl2N3/c1-20-14-5-3-2-4-13(14)19-15(20)18-9-10-6-7-11(16)12(17)8-10/h2-8H,9H2,1H3,(H,18,19)

InChI Key

PEJXJYQDRSYCMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02223718

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

306.19

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.391

Distribution Coefficient, logD

3.808

Water Solubility, LogSw

-4.35

Polar Surface Area

23.391

Acid Dissociation Constant (pKa)

18.53

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

D010-0004 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D010-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D010-0004?
Check Price and Availability of D010-0004, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D010-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D010-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D010-0004
  • 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 D010-0004 available by request