3736-0130 Screening compound: 4-{1-[(3-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-amine

3736-0130 Screening compound: 4-{1-[(3-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-amine
3736-0130 Screening compound: 4-{1-[(3-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3736-0130
4-{1-[(3-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-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

3736-0130

Molecular Formula

C16H12ClN5O (C16 H12 ClN5 O)

Compound Name

4-{1-[(3-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-amine

IUPAC name

4-{1-[(3-chlorophenyl)methyl]-1H-13-benzodiazol-2-yl}-125-oxadiazol-3-amine

SMILES

Nc1nonc1-c1nc(cccc2)c2n1Cc1cccc(Cl)c1

InChI

InChI=1S/C16H12ClN5O/c17-11-5-3-4-10(8-11)9-22-13-7-2-1-6-12(13)19-16(22)14-15(18)21-23-20-14/h1-8H,9H2,(H2,18,21)

InChI Key

JLCUCVSXEOVDHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.255

Distribution Coefficient, logD

4.254

Water Solubility, LogSw

-4.41

Polar Surface Area

66.980

Acid Dissociation Constant (pKa)

18.62

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

3736-0130 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

BRD4 Targeted Library (4534 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with 3736-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3736-0130?
Check Price and Availability of 3736-0130, 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 3736-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3736-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3736-0130
  • 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 3736-0130 available by request