5752-0102 Screening compound: (4Z)-4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methylidene]-1-(4-ethylphenyl)pyrazolidine-3,5-dione

5752-0102 Screening compound: (4Z)-4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methylidene]-1-(4-ethylphenyl)pyrazolidine-3,5-dione
5752-0102 Screening compound: (4Z)-4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methylidene]-1-(4-ethylphenyl)pyrazolidine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5752-0102
(4Z)-4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methylidene]-1-(4-ethylphenyl)pyrazolidine-3,5-dione

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

5752-0102

Molecular Formula

C21H20N4O3 (C21 H20 N4 O3)

Compound Name

(4Z)-4-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methylidene]-1-(4-ethylphenyl)pyrazolidine-3,5-dione

IUPAC name

(4Z)-4-[(13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)methylidene]-1-(4-ethylphenyl)pyrazolidine-35-dione

SMILES

CCc(cc1)ccc1N(C(/C1=C\c(cc2)cc(N3C)c2N(C)C3=O)=O)NC1=O

InChI

InChI=1S/C21H20N4O3/c1-4-13-5-8-15(9-6-13)25-20(27)16(19(26)22-25)11-14-7-10-17-18(12-14)24(3)21(28)23(17)2/h5-12H,4H2,1-3H3,(H,22,26)

InChI Key

GPFOIEMXLJPREM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03720801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.767

Distribution Coefficient, logD

2.689

Water Solubility, LogSw

-3.22

Polar Surface Area

60.444

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

-7.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 5752-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5752-0102?
Check Price and Availability of 5752-0102, 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 5752-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5752-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5752-0102
  • 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 5752-0102 available by request