1770-0076 Screening compound: 1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-amine

1770-0076 Screening compound: 1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-amine
1770-0076 Screening compound: 1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1770-0076
1-[(2-chlorophenyl)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

1770-0076

Molecular Formula

C14H12ClN3 (C14 H12 ClN3)

Compound Name

1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-amine

IUPAC name

1-[(2-chlorophenyl)methyl]-1H-13-benzodiazol-2-amine

SMILES

Nc1nc(cccc2)c2n1Cc(cccc1)c1Cl

InChI

InChI=1S/C14H12ClN3/c15-11-6-2-1-5-10(11)9-18-13-8-4-3-7-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)

InChI Key

PZLAZHLMSZCPEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01051252

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

257.72

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.715

Distribution Coefficient, logD

3.524

Water Solubility, LogSw

-3.84

Polar Surface Area

30.929

Acid Dissociation Constant (pKa)

22.24

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

1770-0076 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1770-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1770-0076?
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What is the minimum amount of 1770-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1770-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1770-0076
  • 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 1770-0076 available by request