8008-7744 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(piperidin-1-yl)methyl]-N'-[(2E,3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene]-1H-1,2,3-triazole-4-carbohydrazide

8008-7744 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(piperidin-1-yl)methyl]-N'-[(2E,3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene]-1H-1,2,3-triazole-4-carbohydrazide
8008-7744 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(piperidin-1-yl)methyl]-N'-[(2E,3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-7744
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(piperidin-1-yl)methyl]-N'-[(2E,3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene]-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

8008-7744

Molecular Formula

C24H35N9O2 (C24 H35 N9 O2)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(piperidin-1-yl)methyl]-N'-[(2E,3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene]-1H-1,2,3-triazole-4-carbohydrazide

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-5-[(piperidin-1-yl)methyl]-N'-[(2E3E)-4-(266-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene]-1H-123-triazole-4-carbohydrazide

SMILES

CC1(C)C(/C=C/C(/C)=N/NC(c2c(CN3CCCCC3)n(-c3nonc3N)nn2)=O)=C(C)CCC1

InChI

InChI=1S/C24H35N9O2/c1-16-9-8-12-24(3,4)18(16)11-10-17(2)26-28-23(34)20-19(15-32-13-6-5-7-14-32)33(31-27-20)22-21(25)29-35-30-22/h10-11H,5-9,12-15H2,1-4H3,(H2,25,29)(H,28,34)

InChI Key

XBVDHAKNNJGXQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01459930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.737

Distribution Coefficient, logD

3.149

Water Solubility, LogSw

-3.93

Polar Surface Area

121.449

Acid Dissociation Constant (pKa)

8.16

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

8008-7744 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 8008-7744 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-7744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-7744
  • 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 8008-7744 available by request