F864-0453 Screening compound: 1-{5-[(3-chlorophenyl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(2-methoxyphenyl)piperidine-3-carboxamide

F864-0453 Screening compound: 1-{5-[(3-chlorophenyl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(2-methoxyphenyl)piperidine-3-carboxamide
F864-0453 Screening compound: 1-{5-[(3-chlorophenyl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(2-methoxyphenyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F864-0453
1-{5-[(3-chlorophenyl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(2-methoxyphenyl)piperidine-3-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

F864-0453

Molecular Formula

C23H22ClN5O4S (C23 H22 ClN5 O4 S)

Compound Name

1-{5-[(3-chlorophenyl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(2-methoxyphenyl)piperidine-3-carboxamide

IUPAC name

1-{5-[(3-chlorophenyl)carbamoyl]-134-thiadiazole-2-carbonyl}-N-(2-methoxyphenyl)piperidine-3-carboxamide

SMILES

COc(cccc1)c1NC(C(CCC1)CN1C(c1nnc(C(Nc2cccc(Cl)c2)=O)s1)=O)=O

InChI

InChI=1S/C23H22ClN5O4S/c1-33-18-10-3-2-9-17(18)26-19(30)14-6-5-11-29(13-14)23(32)22-28-27-21(34-22)20(31)25-16-8-4-7-15(24)12-16/h2-4,7-10,12,14H,5-6,11,13H2,1H3,(H,25,31)(H,26,30)/t14-/m0/s1

InChI Key

OGGWXJWTAPXJHW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27200469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.479

Distribution Coefficient, logD

3.426

Water Solubility, LogSw

-3.83

Polar Surface Area

93.439

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

F864-0453 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Peptidomimetic Library (37031 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • Others
  • Phosphatases

References: we are preparing a list of scientific research reports with F864-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F864-0453?
Check Price and Availability of F864-0453, 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 F864-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F864-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F864-0453
  • 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 F864-0453 available by request