0295-0006 Screening compound: 2-(3-bromophenyl)-1H-1,3-benzodiazole

0295-0006 Screening compound: 2-(3-bromophenyl)-1H-1,3-benzodiazole
0295-0006 Screening compound: 2-(3-bromophenyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0295-0006
2-(3-bromophenyl)-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

0295-0006

Molecular Formula

C13H9BrN2 (C13 H9 BrN2)

Compound Name

2-(3-bromophenyl)-1H-1,3-benzodiazole

IUPAC name

2-(3-bromophenyl)-1H-13-benzodiazole

SMILES

Brc1cc(-c2nc(cccc3)c3[nH]2)ccc1

InChI

InChI=1S/C13H9BrN2/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,(H,15,16)

InChI Key

KLPQPEGYDCWTKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00602186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.13

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.410

Distribution Coefficient, logD

4.407

Water Solubility, LogSw

-4.60

Polar Surface Area

19.258

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

5.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0295-0006 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0295-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0295-0006?
Check Price and Availability of 0295-0006, 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 0295-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0295-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0295-0006
  • 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 0295-0006 available by request