0109-0044F Screening compound: 3-(1H-1,3-benzodiazol-2-yl)aniline

0109-0044F Screening compound: 3-(1H-1,3-benzodiazol-2-yl)aniline
0109-0044F Screening compound: 3-(1H-1,3-benzodiazol-2-yl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 0109-0044F
3-(1H-1,3-benzodiazol-2-yl)aniline

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

0109-0044F

Molecular Formula

C13H11N3 (C13 H11 N3)

Compound Name

3-(1H-1,3-benzodiazol-2-yl)aniline

IUPAC name

3-(1H-13-benzodiazol-2-yl)aniline

SMILES

Nc1cccc(-c2nc(cccc3)c3[nH]2)c1

InChI

InChI=1S/C13H11N3/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,14H2,(H,15,16)

InChI Key

JHTBOVFZNCAYFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00600407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

209.25

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.615

Distribution Coefficient, logD

2.613

Water Solubility, LogSw

-2.83

Polar Surface Area

40.064

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0109-0044F in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 0109-0044F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0109-0044F?
Check Price and Availability of 0109-0044F, 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 0109-0044F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0109-0044F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0109-0044F
  • 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 0109-0044F available by request