3237-1196 Screening compound: 4-[(E)-1-(3-bromoanilino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazole-3-thione

3237-1196 Screening compound: 4-[(E)-1-(3-bromoanilino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazole-3-thione
3237-1196 Screening compound: 4-[(E)-1-(3-bromoanilino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazole-3-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3237-1196
4-[(E)-1-(3-bromoanilino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazole-3-thione

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

3237-1196

Molecular Formula

C17H14BrN3S (C17 H14 BrN3 S)

Compound Name

4-[(E)-1-(3-bromoanilino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazole-3-thione

IUPAC name

(4E)-4-{[(3-bromophenyl)amino]methylidene}-3-methyl-1-phenyl-45-dihydro-1H-pyrazole-5-thione

SMILES

CC(/C(/C1=S)=C\Nc2cccc(Br)c2)=NN1c1ccccc1

InChI

InChI=1S/C17H14BrN3S/c1-12-16(11-19-14-7-5-6-13(18)10-14)17(22)21(20-12)15-8-3-2-4-9-15/h2-11,19H,1H3

InChI Key

AFUUIDUEOVWWKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01942900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.744

Distribution Coefficient, logD

4.726

Water Solubility, LogSw

-4.61

Polar Surface Area

23.961

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

3237-1196 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3237-1196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3237-1196?
Check Price and Availability of 3237-1196, 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 3237-1196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3237-1196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3237-1196
  • 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 3237-1196 available by request