5752-0155 Screening compound: 5-{[(4Z)-1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

5752-0155 Screening compound: 5-{[(4Z)-1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
5752-0155 Screening compound: 5-{[(4Z)-1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5752-0155
5-{[(4Z)-1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

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

5752-0155

Molecular Formula

C20H14ClF3N4O2 (C20 H14 ClF3 N4 O2)

Compound Name

5-{[(4Z)-1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-{[(4Z)-1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)-45-dihydro-1H-pyrazol-4-ylidene]methyl}-13-dimethyl-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CN(c(ccc(/C=C(/C(C(F)(F)F)=NN1c(cc2)ccc2Cl)\C1=O)c1)c1N1C)C1=O

InChI

InChI=1S/C20H14ClF3N4O2/c1-26-15-8-3-11(10-16(15)27(2)19(26)30)9-14-17(20(22,23)24)25-28(18(14)29)13-6-4-12(21)5-7-13/h3-10H,1-2H3

InChI Key

UGFLGJJAJMJENO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03720481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.004

Distribution Coefficient, logD

4.004

Water Solubility, LogSw

-4.75

Polar Surface Area

44.098

Acid Dissociation Constant (pKa)

30.27

Base Dissociation Constant (pKb)

-9.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

5752-0155 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5752-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5752-0155?
Check Price and Availability of 5752-0155, 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 5752-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5752-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5752-0155
  • 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 5752-0155 available by request