G945-0003 Screening compound: 5-{5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-1,3-benzodiazole

G945-0003 Screening compound: 5-{5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-1,3-benzodiazole
G945-0003 Screening compound: 5-{5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G945-0003
5-{5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-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

G945-0003

Molecular Formula

C17H13BrN4O (C17 H13 BrN4 O)

Compound Name

5-{5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-1,3-benzodiazole

IUPAC name

5-{5-[(2-bromophenyl)methyl]-124-oxadiazol-3-yl}-1-methyl-1H-13-benzodiazole

SMILES

Cn1c(ccc(-c2noc(Cc(cccc3)c3Br)n2)c2)c2nc1

InChI

InChI=1S/C17H13BrN4O/c1-22-10-19-14-8-12(6-7-15(14)22)17-20-16(23-21-17)9-11-4-2-3-5-13(11)18/h2-8,10H,9H2,1H3

InChI Key

DBMZGZGXKRIPEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.383

Distribution Coefficient, logD

4.383

Water Solubility, LogSw

-4.49

Polar Surface Area

42.322

Acid Dissociation Constant (pKa)

26.85

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

G945-0003 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G945-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G945-0003?
Check Price and Availability of G945-0003, 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 G945-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G945-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G945-0003
  • 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 G945-0003 available by request