F793-1458 Screening compound: N-(3,4-difluorophenyl)-5-(1-{[3-(methylsulfanyl)phenyl]carbamoyl}pyrrolidin-2-yl)-1,3,4-thiadiazole-2-carboxamide

F793-1458 Screening compound: N-(3,4-difluorophenyl)-5-(1-{[3-(methylsulfanyl)phenyl]carbamoyl}pyrrolidin-2-yl)-1,3,4-thiadiazole-2-carboxamide
F793-1458 Screening compound: N-(3,4-difluorophenyl)-5-(1-{[3-(methylsulfanyl)phenyl]carbamoyl}pyrrolidin-2-yl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F793-1458
N-(3,4-difluorophenyl)-5-(1-{[3-(methylsulfanyl)phenyl]carbamoyl}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

F793-1458

Molecular Formula

C21H19F2N5O2S2 (C21 H19 F2 N5 O2 S2)

Compound Name

N-(3,4-difluorophenyl)-5-(1-{[3-(methylsulfanyl)phenyl]carbamoyl}pyrrolidin-2-yl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(34-difluorophenyl)-5-(1-{[3-(methylsulfanyl)phenyl]carbamoyl}pyrrolidin-2-yl)-134-thiadiazole-2-carboxamide

SMILES

CSc1cccc(NC(N(CCC2)C2c2nnc(C(Nc(cc3)cc(F)c3F)=O)s2)=O)c1

InChI

InChI=1S/C21H19F2N5O2S2/c1-31-14-5-2-4-12(10-14)25-21(30)28-9-3-6-17(28)19-26-27-20(32-19)18(29)24-13-7-8-15(22)16(23)11-13/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,24,29)(H,25,30)/t17-/m0/s1

InChI Key

ZIBYTTZCLQTBFY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27190497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.974

Distribution Coefficient, logD

3.806

Water Solubility, LogSw

-4.02

Polar Surface Area

72.091

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

F793-1458 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F793-1458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F793-1458?
Check Price and Availability of F793-1458, 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 F793-1458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F793-1458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F793-1458
  • 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 F793-1458 available by request