4476-4417 Screening compound: 2-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-1H-1,3-benzodiazole

4476-4417 Screening compound: 2-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-1H-1,3-benzodiazole
4476-4417 Screening compound: 2-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-4417
2-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-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

4476-4417

Molecular Formula

C22H15BrN4 (C22 H15 BrN4)

Compound Name

2-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-1H-1,3-benzodiazole

IUPAC name

2-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-1H-13-benzodiazole

SMILES

Brc(cc1)ccc1-c(c(-c1nc(cccc2)c2[nH]1)c1)nn1-c1ccccc1

InChI

InChI=1S/C22H15BrN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)

InChI Key

SCOOEICZZQAXBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01950505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.29

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.627

Distribution Coefficient, logD

5.627

Water Solubility, LogSw

-6.25

Polar Surface Area

33.891

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4476-4417 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4476-4417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-4417?
Check Price and Availability of 4476-4417, 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 4476-4417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-4417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-4417
  • 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 4476-4417 available by request