8004-5937 Screening compound: 4-[(1E)-1-[2-(2-bromophenyl)hydrazin-1-ylidene]-3-phenylpropan-2-ylidene]-1,2-diphenylpyrazolidine-3,5-dione

8004-5937 Screening compound: 4-[(1E)-1-[2-(2-bromophenyl)hydrazin-1-ylidene]-3-phenylpropan-2-ylidene]-1,2-diphenylpyrazolidine-3,5-dione
8004-5937 Screening compound: 4-[(1E)-1-[2-(2-bromophenyl)hydrazin-1-ylidene]-3-phenylpropan-2-ylidene]-1,2-diphenylpyrazolidine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-5937
4-[(1E)-1-[2-(2-bromophenyl)hydrazin-1-ylidene]-3-phenylpropan-2-ylidene]-1,2-diphenylpyrazolidine-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

8004-5937

Molecular Formula

C30H23BrN4O2 (C30 H23 BrN4 O2)

Compound Name

4-[(1E)-1-[2-(2-bromophenyl)hydrazin-1-ylidene]-3-phenylpropan-2-ylidene]-1,2-diphenylpyrazolidine-3,5-dione

IUPAC name

4-[(1E)-1-[2-(2-bromophenyl)hydrazin-1-ylidene]-3-phenylpropan-2-ylidene]-12-diphenylpyrazolidine-35-dione

SMILES

O=C(C(C1=O)=C(Cc2ccccc2)/C=N/Nc(cccc2)c2Br)N(c2ccccc2)N1c1ccccc1

InChI

InChI=1S/C30H23BrN4O2/c31-26-18-10-11-19-27(26)33-32-21-23(20-22-12-4-1-5-13-22)28-29(36)34(24-14-6-2-7-15-24)35(30(28)37)25-16-8-3-9-17-25/h1-19,21,33H,20H2

InChI Key

UYLCUEJNQADMSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.211

Distribution Coefficient, logD

6.211

Water Solubility, LogSw

-5.91

Polar Surface Area

54.403

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.30

8004-5937 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8004-5937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-5937?
Check Price and Availability of 8004-5937, 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 8004-5937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-5937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-5937
  • 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 8004-5937 available by request