F976-0176 Screening compound: 6-[4-(3,4-difluorobenzenesulfonyl)-1,4-diazepan-1-yl]-2-(4-fluorophenyl)-2,3-dihydropyridazin-3-one

F976-0176 Screening compound: 6-[4-(3,4-difluorobenzenesulfonyl)-1,4-diazepan-1-yl]-2-(4-fluorophenyl)-2,3-dihydropyridazin-3-one
F976-0176 Screening compound: 6-[4-(3,4-difluorobenzenesulfonyl)-1,4-diazepan-1-yl]-2-(4-fluorophenyl)-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F976-0176
6-[4-(3,4-difluorobenzenesulfonyl)-1,4-diazepan-1-yl]-2-(4-fluorophenyl)-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

F976-0176

Molecular Formula

C21H19F3N4O3S (C21 H19 F3 N4 O3 S)

Compound Name

6-[4-(3,4-difluorobenzenesulfonyl)-1,4-diazepan-1-yl]-2-(4-fluorophenyl)-2,3-dihydropyridazin-3-one

IUPAC name

6-[4-(34-difluorobenzenesulfonyl)-14-diazepan-1-yl]-2-(4-fluorophenyl)-23-dihydropyridazin-3-one

SMILES

O=C(C=C1)N(c(cc2)ccc2F)N=C1N(CCC1)CCN1S(c(cc1)cc(F)c1F)(=O)=O

InChI

InChI=1S/C21H19F3N4O3S/c22-15-2-4-16(5-3-15)28-21(29)9-8-20(25-28)26-10-1-11-27(13-12-26)32(30,31)17-6-7-18(23)19(24)14-17/h2-9,14H,1,10-13H2

InChI Key

AHBJEXJTGMHWET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14973573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.164

Distribution Coefficient, logD

3.164

Water Solubility, LogSw

-3.48

Polar Surface Area

62.555

Acid Dissociation Constant (pKa)

27.67

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

F976-0176 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 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 F976-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F976-0176?
Check Price and Availability of F976-0176, 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 F976-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F976-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F976-0176
  • 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 F976-0176 available by request