F792-0040 Screening compound: 5-[1-(4-ethoxybenzoyl)pyrrolidin-2-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

F792-0040 Screening compound: 5-[1-(4-ethoxybenzoyl)pyrrolidin-2-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
F792-0040 Screening compound: 5-[1-(4-ethoxybenzoyl)pyrrolidin-2-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F792-0040
5-[1-(4-ethoxybenzoyl)pyrrolidin-2-yl]-N-(3-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

F792-0040

Molecular Formula

C22H21FN4O3S (C22 H21 FN4 O3 S)

Compound Name

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

IUPAC name

5-[1-(4-ethoxybenzoyl)pyrrolidin-2-yl]-N-(3-fluorophenyl)-134-thiadiazole-2-carboxamide

SMILES

CCOc(cc1)ccc1C(N(CCC1)C1c1nnc(C(Nc2cc(F)ccc2)=O)s1)=O

InChI

InChI=1S/C22H21FN4O3S/c1-2-30-17-10-8-14(9-11-17)22(29)27-12-4-7-18(27)20-25-26-21(31-20)19(28)24-16-6-3-5-15(23)13-16/h3,5-6,8-11,13,18H,2,4,7,12H2,1H3,(H,24,28)/t18-/m0/s1

InChI Key

MUSYWOYFCFFGIH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27190040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.515

Distribution Coefficient, logD

3.512

Water Solubility, LogSw

-3.67

Polar Surface Area

70.394

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

F792-0040 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F792-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F792-0040?
Check Price and Availability of F792-0040, 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 F792-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F792-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F792-0040
  • 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 F792-0040 available by request