3697-0028 Screening compound: (4Z)-1-(3-bromophenyl)-4-{[2-(propan-2-yloxy)phenyl]methylidene}pyrazolidine-3,5-dione

3697-0028 Screening compound: (4Z)-1-(3-bromophenyl)-4-{[2-(propan-2-yloxy)phenyl]methylidene}pyrazolidine-3,5-dione
3697-0028 Screening compound: (4Z)-1-(3-bromophenyl)-4-{[2-(propan-2-yloxy)phenyl]methylidene}pyrazolidine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3697-0028
(4Z)-1-(3-bromophenyl)-4-{[2-(propan-2-yloxy)phenyl]methylidene}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

3697-0028

Molecular Formula

C19H17BrN2O3 (C19 H17 BrN2 O3)

Compound Name

(4Z)-1-(3-bromophenyl)-4-{[2-(propan-2-yloxy)phenyl]methylidene}pyrazolidine-3,5-dione

IUPAC name

(4Z)-1-(3-bromophenyl)-4-{[2-(propan-2-yloxy)phenyl]methylidene}pyrazolidine-35-dione

SMILES

CC(C)Oc1c(/C=C(/C(NN2c3cccc(Br)c3)=O)\C2=O)cccc1

InChI

InChI=1S/C19H17BrN2O3/c1-12(2)25-17-9-4-3-6-13(17)10-16-18(23)21-22(19(16)24)15-8-5-7-14(20)11-15/h3-12H,1-2H3,(H,21,23)

InChI Key

GAMNHAZTEFCMOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01158185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.911

Distribution Coefficient, logD

3.704

Water Solubility, LogSw

-4.03

Polar Surface Area

49.649

Acid Dissociation Constant (pKa)

7.61

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 3697-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3697-0028?
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What is the minimum amount of 3697-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3697-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3697-0028
  • 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 3697-0028 available by request