F794-0897 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2,4-difluorobenzenesulfonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide

F794-0897 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2,4-difluorobenzenesulfonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
F794-0897 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2,4-difluorobenzenesulfonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F794-0897
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2,4-difluorobenzenesulfonyl)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

F794-0897

Molecular Formula

C20H16F2N4O5S2 (C20 H16 F2 N4 O5 S2)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2,4-difluorobenzenesulfonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-5-[1-(24-difluorobenzenesulfonyl)pyrrolidin-2-yl]-134-thiadiazole-2-carboxamide

SMILES

O=C(c1nnc(C(CCC2)N2S(c(ccc(F)c2)c2F)(=O)=O)s1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C20H16F2N4O5S2/c21-11-3-6-17(13(22)8-11)33(28,29)26-7-1-2-14(26)19-24-25-20(32-19)18(27)23-12-4-5-15-16(9-12)31-10-30-15/h3-6,8-9,14H,1-2,7,10H2,(H,23,27)/t14-/m0/s1

InChI Key

CWJNRRNBJGRRGK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27190698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.935

Distribution Coefficient, logD

2.934

Water Solubility, LogSw

-3.45

Polar Surface Area

96.225

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

F794-0897 in Drug Discovery

Included in Screening Libraries

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:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F794-0897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F794-0897?
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What is the minimum amount of F794-0897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F794-0897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F794-0897
  • 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 F794-0897 available by request