F792-1776 Screening compound: 5-[1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide

F792-1776 Screening compound: 5-[1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
F792-1776 Screening compound: 5-[1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F792-1776
5-[1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide

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

F792-1776

Molecular Formula

C21H16F2N4O4S (C21 H16 F2 N4 O4 S)

Compound Name

5-[1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-[1-(2H-13-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-N-(24-difluorophenyl)-134-thiadiazole-2-carboxamide

SMILES

O=C(c1nnc(C(CCC2)N2C(c(cc2)cc3c2OCO3)=O)s1)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C21H16F2N4O4S/c22-12-4-5-14(13(23)9-12)24-18(28)20-26-25-19(32-20)15-2-1-7-27(15)21(29)11-3-6-16-17(8-11)31-10-30-16/h3-6,8-9,15H,1-2,7,10H2,(H,24,28)/t15-/m0/s1

InChI Key

KUUVMRYVDPLFHR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27190243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.945

Distribution Coefficient, logD

2.775

Water Solubility, LogSw

-3.38

Polar Surface Area

79.688

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

-2.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

F792-1776 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F792-1776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F792-1776?
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What is the minimum amount of F792-1776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F792-1776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F792-1776
  • 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 F792-1776 available by request