F864-0745 Screening compound: 1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(2,4-dimethylphenyl)piperidine-3-carboxamide

F864-0745 Screening compound: 1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
F864-0745 Screening compound: 1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(2,4-dimethylphenyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F864-0745
1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(2,4-dimethylphenyl)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

F864-0745

Molecular Formula

C25H25N5O5S (C25 H25 N5 O5 S)

Compound Name

1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-(2,4-dimethylphenyl)piperidine-3-carboxamide

IUPAC name

1-{5-[(2H-13-benzodioxol-5-yl)carbamoyl]-134-thiadiazole-2-carbonyl}-N-(24-dimethylphenyl)piperidine-3-carboxamide

SMILES

Cc(cc1)cc(C)c1NC(C(CCC1)CN1C(c1nnc(C(Nc(cc2)cc3c2OCO3)=O)s1)=O)=O

InChI

InChI=1S/C25H25N5O5S/c1-14-5-7-18(15(2)10-14)27-21(31)16-4-3-9-30(12-16)25(33)24-29-28-23(36-24)22(32)26-17-6-8-19-20(11-17)35-13-34-19/h5-8,10-11,16H,3-4,9,12-13H2,1-2H3,(H,26,32)(H,27,31)/t16-/m0/s1

InChI Key

FGDXNHMKARPGAD-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27200596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.288

Distribution Coefficient, logD

3.274

Water Solubility, LogSw

-3.34

Polar Surface Area

102.924

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

F864-0745 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GABA Library (7115 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Eye
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
  • Others
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with F864-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F864-0745?
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What is the minimum amount of F864-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F864-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F864-0745
  • 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 F864-0745 available by request