3277-0281 Screening compound: 3-ethyl-5-[(2E)-2-{[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]methylidene}hydrazin-1-yl]-4H-1,2,4-triazol-4-amine

3277-0281 Screening compound: 3-ethyl-5-[(2E)-2-{[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]methylidene}hydrazin-1-yl]-4H-1,2,4-triazol-4-amine
3277-0281 Screening compound: 3-ethyl-5-[(2E)-2-{[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]methylidene}hydrazin-1-yl]-4H-1,2,4-triazol-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3277-0281
3-ethyl-5-[(2E)-2-{[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]methylidene}hydrazin-1-yl]-4H-1,2,4-triazol-4-amine

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

3277-0281

Molecular Formula

C17H24N8O2 (C17 H24 N8 O2)

Compound Name

3-ethyl-5-[(2E)-2-{[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]methylidene}hydrazin-1-yl]-4H-1,2,4-triazol-4-amine

IUPAC name

3-ethyl-5-[(2E)-2-{[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]methylidene}hydrazin-1-yl]-4H-124-triazol-4-amine

SMILES

CCc1nnc(N/N=C/c(cc2)cc([N+]([O-])=O)c2N2CCC(C)CC2)n1N

InChI

InChI=1S/C17H24N8O2/c1-3-16-20-22-17(24(16)18)21-19-11-13-4-5-14(15(10-13)25(26)27)23-8-6-12(2)7-9-23/h4-5,10-12H,3,6-9,18H2,1-2H3,(H,21,22)

InChI Key

RRIABCVKWRTOMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642170

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

372.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.545

Distribution Coefficient, logD

2.545

Water Solubility, LogSw

-2.89

Polar Surface Area

102.353

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

3277-0281 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3277-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3277-0281?
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What is the minimum amount of 3277-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3277-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3277-0281
  • 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 3277-0281 available by request