F976-0438 Screening compound: 6-[4-(1H-imidazole-4-sulfonyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)-2,3-dihydropyridazin-3-one

F976-0438 Screening compound: 6-[4-(1H-imidazole-4-sulfonyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)-2,3-dihydropyridazin-3-one
F976-0438 Screening compound: 6-[4-(1H-imidazole-4-sulfonyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F976-0438
6-[4-(1H-imidazole-4-sulfonyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)-2,3-dihydropyridazin-3-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

F976-0438

Molecular Formula

C19H22N6O3S (C19 H22 N6 O3 S)

Compound Name

6-[4-(1H-imidazole-4-sulfonyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)-2,3-dihydropyridazin-3-one

IUPAC name

6-[4-(1H-imidazole-4-sulfonyl)-14-diazepan-1-yl]-2-(4-methylphenyl)-23-dihydropyridazin-3-one

SMILES

Cc(cc1)ccc1N(C(C=C1)=O)N=C1N(CCC1)CCN1S(c1c[nH]cn1)(=O)=O

InChI

InChI=1S/C19H22N6O3S/c1-15-3-5-16(6-4-15)25-19(26)8-7-17(22-25)23-9-2-10-24(12-11-23)29(27,28)18-13-20-14-21-18/h3-8,13-14H,2,9-12H2,1H3,(H,20,21)

InChI Key

FFZCHJYUWUVFNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14973653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.456

Distribution Coefficient, logD

1.456

Water Solubility, LogSw

-2.49

Polar Surface Area

83.628

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

F976-0438 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F976-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F976-0438?
Check Price and Availability of F976-0438, 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 F976-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F976-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F976-0438
  • 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 F976-0438 available by request