2237-1853 Screening compound: 1-(4-bromophenyl)-3,5-dimethyl-4-(3-nitrophenyl)-1H-pyrazole

2237-1853 Screening compound: 1-(4-bromophenyl)-3,5-dimethyl-4-(3-nitrophenyl)-1H-pyrazole
2237-1853 Screening compound: 1-(4-bromophenyl)-3,5-dimethyl-4-(3-nitrophenyl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2237-1853
1-(4-bromophenyl)-3,5-dimethyl-4-(3-nitrophenyl)-1H-pyrazole

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

2237-1853

Molecular Formula

C17H14BrN3O2 (C17 H14 BrN3 O2)

Compound Name

1-(4-bromophenyl)-3,5-dimethyl-4-(3-nitrophenyl)-1H-pyrazole

IUPAC name

1-(4-bromophenyl)-35-dimethyl-4-(3-nitrophenyl)-1H-pyrazole

SMILES

Cc(n(-c(cc1)ccc1Br)nc1C)c1-c1cc([N+]([O-])=O)ccc1

InChI

InChI=1S/C17H14BrN3O2/c1-11-17(13-4-3-5-16(10-13)21(22)23)12(2)20(19-11)15-8-6-14(18)7-9-15/h3-10H,1-2H3

InChI Key

VUXMPHKTUNYTIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01363724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.485

Distribution Coefficient, logD

4.485

Water Solubility, LogSw

-4.65

Polar Surface Area

47.766

Acid Dissociation Constant (pKa)

26.20

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

2237-1853 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 2237-1853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2237-1853?
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What is the minimum amount of 2237-1853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2237-1853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2237-1853
  • 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 2237-1853 available by request