F794-0926 Screening compound: N-(3,4-difluorophenyl)-5-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide

F794-0926 Screening compound: N-(3,4-difluorophenyl)-5-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
F794-0926 Screening compound: N-(3,4-difluorophenyl)-5-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F794-0926
N-(3,4-difluorophenyl)-5-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-2-yl}-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

F794-0926

Molecular Formula

C17H16F2N6O3S2 (C17 H16 F2 N6 O3 S2)

Compound Name

N-(3,4-difluorophenyl)-5-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(34-difluorophenyl)-5-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-2-yl}-134-thiadiazole-2-carboxamide

SMILES

Cn1cnc(S(N(CCC2)C2c2nnc(C(Nc(cc3)cc(F)c3F)=O)s2)(=O)=O)c1

InChI

InChI=1S/C17H16F2N6O3S2/c1-24-8-14(20-9-24)30(27,28)25-6-2-3-13(25)16-22-23-17(29-16)15(26)21-10-4-5-11(18)12(19)7-10/h4-5,7-9,13H,2-3,6H2,1H3,(H,21,26)/t13-/m0/s1

InChI Key

JEBMOTZEKCDSKJ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27190712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.532

Distribution Coefficient, logD

1.309

Water Solubility, LogSw

-2.51

Polar Surface Area

91.521

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

F794-0926 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F794-0926 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F794-0926?
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What is the minimum amount of F794-0926 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F794-0926
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F794-0926
  • 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 F794-0926 available by request