F976-0474 Screening compound: 6-(4-{[1-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl}-1,4-diazepan-1-yl)-2-(4-methylphenyl)-2,3-dihydropyridazin-3-one

F976-0474 Screening compound: 6-(4-{[1-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl}-1,4-diazepan-1-yl)-2-(4-methylphenyl)-2,3-dihydropyridazin-3-one
F976-0474 Screening compound: 6-(4-{[1-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl}-1,4-diazepan-1-yl)-2-(4-methylphenyl)-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F976-0474
6-(4-{[1-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]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

F976-0474

Molecular Formula

C21H24F2N6O3S (C21 H24 F2 N6 O3 S)

Compound Name

6-(4-{[1-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl}-1,4-diazepan-1-yl)-2-(4-methylphenyl)-2,3-dihydropyridazin-3-one

IUPAC name

6-(4-{[1-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl}-14-diazepan-1-yl)-2-(4-methylphenyl)-23-dihydropyridazin-3-one

SMILES

Cc(n(C(F)F)nc1)c1S(N(CCC1)CCN1C(C=C1)=NN(c2ccc(C)cc2)C1=O)(=O)=O

InChI

InChI=1S/C21H24F2N6O3S/c1-15-4-6-17(7-5-15)29-20(30)9-8-19(25-29)26-10-3-11-27(13-12-26)33(31,32)18-14-24-28(16(18)2)21(22)23/h4-9,14,21H,3,10-13H2,1-2H3

InChI Key

SPDGGUZKZYCBPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14973657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.720

Distribution Coefficient, logD

1.720

Water Solubility, LogSw

-2.36

Polar Surface Area

76.141

Acid Dissociation Constant (pKa)

26.88

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

F976-0474 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F976-0474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F976-0474?
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What is the minimum amount of F976-0474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F976-0474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F976-0474
  • 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 F976-0474 available by request