4994-0697 Screening compound: N'-[(E)-[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetohydrazide

4994-0697 Screening compound: N'-[(E)-[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetohydrazide
4994-0697 Screening compound: N'-[(E)-[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4994-0697
N'-[(E)-[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetohydrazide

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

4994-0697

Molecular Formula

C21H15BrN4O3 (C21 H15 BrN4 O3)

Compound Name

N'-[(E)-[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetohydrazide

IUPAC name

N'-[(E)-[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-oxo-34-dihydrophthalazin-1-yl)acetohydrazide

SMILES

O=C(CC(c1c2cccc1)=NNC2=O)N/N=C/c1ccc(-c(cc2)ccc2Br)o1

InChI

InChI=1S/C21H15BrN4O3/c22-14-7-5-13(6-8-14)19-10-9-15(29-19)12-23-25-20(27)11-18-16-3-1-2-4-17(16)21(28)26-24-18/h1-10,12H,11H2,(H,25,27)(H,26,28)

InChI Key

FBVHGABQAJMOIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02314525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.071

Distribution Coefficient, logD

4.071

Water Solubility, LogSw

-4.48

Polar Surface Area

79.205

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

3.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

4994-0697 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 4994-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4994-0697?
Check Price and Availability of 4994-0697, 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 4994-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4994-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4994-0697
  • 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 4994-0697 available by request