4896-0290 Screening compound: (E)-1-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-N-{2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}methanimine

4896-0290 Screening compound: (E)-1-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-N-{2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}methanimine
4896-0290 Screening compound: (E)-1-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-N-{2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-0290
(E)-1-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-N-{2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}methanimine

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

4896-0290

Molecular Formula

C22H20ClN5S (C22 H20 ClN5 S)

Compound Name

(E)-1-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-N-{2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}methanimine

IUPAC name

(E)-1-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-N-{2-[(35-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}methanimine

SMILES

Cc([nH]nc1C)c1Sc(cccc1)c1/N=C/c(c(C)nn1-c2ccccc2)c1Cl

InChI

InChI=1S/C22H20ClN5S/c1-14-18(22(23)28(27-14)17-9-5-4-6-10-17)13-24-19-11-7-8-12-20(19)29-21-15(2)25-26-16(21)3/h4-13H,1-3H3,(H,25,26)

InChI Key

WACIQRQUYCGSIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00639671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.764

Distribution Coefficient, logD

4.760

Water Solubility, LogSw

-4.81

Polar Surface Area

46.111

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

4896-0290 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4896-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-0290?
Check Price and Availability of 4896-0290, 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 4896-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-0290
  • 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 4896-0290 available by request