F792-0413 Screening compound: 5-[1-(4-cyanobenzoyl)pyrrolidin-2-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

F792-0413 Screening compound: 5-[1-(4-cyanobenzoyl)pyrrolidin-2-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
F792-0413 Screening compound: 5-[1-(4-cyanobenzoyl)pyrrolidin-2-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F792-0413
5-[1-(4-cyanobenzoyl)pyrrolidin-2-yl]-N-(4-fluorophenyl)-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

F792-0413

Molecular Formula

C21H16FN5O2S (C21 H16 FN5 O2 S)

Compound Name

5-[1-(4-cyanobenzoyl)pyrrolidin-2-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-[1-(4-cyanobenzoyl)pyrrolidin-2-yl]-N-(4-fluorophenyl)-134-thiadiazole-2-carboxamide

SMILES

N#Cc(cc1)ccc1C(N(CCC1)C1c1nnc(C(Nc(cc2)ccc2F)=O)s1)=O

InChI

InChI=1S/C21H16FN5O2S/c22-15-7-9-16(10-8-15)24-18(28)20-26-25-19(30-20)17-2-1-11-27(17)21(29)14-5-3-13(12-23)4-6-14/h3-10,17H,1-2,11H2,(H,24,28)/t17-/m0/s1

InChI Key

NFMIFNPGAIEAKD-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27190067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.677

Distribution Coefficient, logD

2.674

Water Solubility, LogSw

-3.14

Polar Surface Area

80.327

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

F792-0413 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F792-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F792-0413?
Check Price and Availability of F792-0413, 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 F792-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F792-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F792-0413
  • 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 F792-0413 available by request