D137-0025 Screening compound: N-(2-methoxyphenyl)-3-phenyl-5,7-dihydrospiro[[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6,1'-cyclopentane]-7-carboxamide

D137-0025 Screening compound: N-(2-methoxyphenyl)-3-phenyl-5,7-dihydrospiro[[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6,1'-cyclopentane]-7-carboxamide
D137-0025 Screening compound: N-(2-methoxyphenyl)-3-phenyl-5,7-dihydrospiro[[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6,1'-cyclopentane]-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D137-0025
N-(2-methoxyphenyl)-3-phenyl-5,7-dihydrospiro[[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6,1'-cyclopentane]-7-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

D137-0025

Molecular Formula

C22H23N5O2S (C22 H23 N5 O2 S)

Compound Name

N-(2-methoxyphenyl)-3-phenyl-5,7-dihydrospiro[[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6,1'-cyclopentane]-7-carboxamide

IUPAC name

N-(2-methoxyphenyl)-3-phenyl-57-dihydrospiro[[124]triazolo[34-b][134]thiadiazine-61'-cyclopentane]-7-carboxamide

SMILES

COc(cccc1)c1NC(C1Sc2nnc(-c3ccccc3)n2NC11CCCC1)=O

InChI

InChI=1S/C22H23N5O2S/c1-29-17-12-6-5-11-16(17)23-20(28)18-22(13-7-8-14-22)26-27-19(24-25-21(27)30-18)15-9-3-2-4-10-15/h2-6,9-12,18,26H,7-8,13-14H2,1H3,(H,23,28)/t18-/m1/s1

InChI Key

INLKIOXCNGFINI-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14812326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.033

Distribution Coefficient, logD

4.033

Water Solubility, LogSw

-4.19

Polar Surface Area

67.360

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

D137-0025 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Spiro Library (21655 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D137-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D137-0025?
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What is the minimum amount of D137-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D137-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D137-0025
  • 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 D137-0025 available by request