L083-0210 Screening compound: 5-[(4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}phenoxy)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

L083-0210 Screening compound: 5-[(4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}phenoxy)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
L083-0210 Screening compound: 5-[(4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}phenoxy)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L083-0210
5-[(4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}phenoxy)methyl]-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

L083-0210

Molecular Formula

C24H23FN4O5S (C24 H23 FN4 O5 S)

Compound Name

5-[(4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}phenoxy)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-[(4-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}phenoxy)methyl]-N-(4-fluorophenyl)-134-thiadiazole-2-carboxamide

SMILES

O=C(c1nnc(COc(cc2)ccc2C(N(CC2)CCC22OCCO2)=O)s1)Nc(cc1)ccc1F

InChI

InChI=1S/C24H23FN4O5S/c25-17-3-5-18(6-4-17)26-21(30)22-28-27-20(35-22)15-32-19-7-1-16(2-8-19)23(31)29-11-9-24(10-12-29)33-13-14-34-24/h1-8H,9-15H2,(H,26,30)

InChI Key

XXSSMYRFPSZZBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.283

Distribution Coefficient, logD

2.281

Water Solubility, LogSw

-2.88

Polar Surface Area

85.642

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L083-0210 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L083-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L083-0210?
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What is the minimum amount of L083-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L083-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L083-0210
  • 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 L083-0210 available by request