8008-2295 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N'-[(E)-[4-(dimethylamino)phenyl]methylidene]-1H-1,2,3-triazole-4-carbohydrazide

8008-2295 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N'-[(E)-[4-(dimethylamino)phenyl]methylidene]-1H-1,2,3-triazole-4-carbohydrazide
8008-2295 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N'-[(E)-[4-(dimethylamino)phenyl]methylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-2295
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N'-[(E)-[4-(dimethylamino)phenyl]methylidene]-1H-1,2,3-triazole-4-carbohydrazide

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

8008-2295

Molecular Formula

C22H20N10O2S2 (C22 H20 N10 O2 S2)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N'-[(E)-[4-(dimethylamino)phenyl]methylidene]-1H-1,2,3-triazole-4-carbohydrazide

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-5-[(13-benzothiazol-2-ylsulfanyl)methyl]-N'-[(E)-[4-(dimethylamino)phenyl]methylidene]-1H-123-triazole-4-carbohydrazide

SMILES

CN(C)c1ccc(/C=N/NC(c2c(CSc3nc(cccc4)c4s3)n(-c3nonc3N)nn2)=O)cc1

InChI

InChI=1S/C22H20N10O2S2/c1-31(2)14-9-7-13(8-10-14)11-24-27-21(33)18-16(32(30-26-18)20-19(23)28-34-29-20)12-35-22-25-15-5-3-4-6-17(15)36-22/h3-11H,12H2,1-2H3,(H2,23,28)(H,27,33)

InChI Key

VRBJHIDOSUWVKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01303958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.003

Distribution Coefficient, logD

3.984

Water Solubility, LogSw

-4.30

Polar Surface Area

129.770

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

8.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

8008-2295 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8008-2295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-2295?
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What is the minimum amount of 8008-2295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-2295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-2295
  • 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 8008-2295 available by request