F792-0447 Screening compound: 5-{1-[2-(4-chlorophenoxy)acetyl]pyrrolidin-2-yl}-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

F792-0447 Screening compound: 5-{1-[2-(4-chlorophenoxy)acetyl]pyrrolidin-2-yl}-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
F792-0447 Screening compound: 5-{1-[2-(4-chlorophenoxy)acetyl]pyrrolidin-2-yl}-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F792-0447
5-{1-[2-(4-chlorophenoxy)acetyl]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

F792-0447

Molecular Formula

C21H18ClFN4O3S (C21 H18 ClFN4 O3 S)

Compound Name

5-{1-[2-(4-chlorophenoxy)acetyl]pyrrolidin-2-yl}-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-{1-[2-(4-chlorophenoxy)acetyl]pyrrolidin-2-yl}-N-(4-fluorophenyl)-134-thiadiazole-2-carboxamide

SMILES

O=C(COc(cc1)ccc1Cl)N(CCC1)C1c1nnc(C(Nc(cc2)ccc2F)=O)s1

InChI

InChI=1S/C21H18ClFN4O3S/c22-13-3-9-16(10-4-13)30-12-18(28)27-11-1-2-17(27)20-25-26-21(31-20)19(29)24-15-7-5-14(23)6-8-15/h3-10,17H,1-2,11-12H2,(H,24,29)/t17-/m0/s1

InChI Key

QFYONJVBBPZGQH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27190091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.92

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

3.436

Distribution Coefficient, logD

3.434

Water Solubility, LogSw

-4.01

Polar Surface Area

70.242

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

F792-0447 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F792-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F792-0447?
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What is the minimum amount of F792-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F792-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F792-0447
  • 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 F792-0447 available by request