F864-0458 Screening compound: 1-{5-[(3-chlorophenyl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

F864-0458 Screening compound: 1-{5-[(3-chlorophenyl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
F864-0458 Screening compound: 1-{5-[(3-chlorophenyl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F864-0458
1-{5-[(3-chlorophenyl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[(2-methylphenyl)methyl]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

F864-0458

Molecular Formula

C24H24ClN5O3S (C24 H24 ClN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CNC(C(CCC2)CN2C(c2nnc(C(Nc3cccc(Cl)c3)=O)s2)=O)=O)cccc1

InChI

InChI=1S/C24H24ClN5O3S/c1-15-6-2-3-7-16(15)13-26-20(31)17-8-5-11-30(14-17)24(33)23-29-28-22(34-23)21(32)27-19-10-4-9-18(25)12-19/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H,26,31)(H,27,32)/t17-/m0/s1

InChI Key

ZTIDJGFAJQNPSZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27200471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.004

Distribution Coefficient, logD

3.951

Water Solubility, LogSw

-4.28

Polar Surface Area

87.829

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

F864-0458 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with F864-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F864-0458?
Check Price and Availability of F864-0458, 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 F864-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F864-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F864-0458
  • 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 F864-0458 available by request