8003-3588 Screening compound: N-(1-amino-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazol-5-yl)-N-[(Z)-1-(2-furyl)methylidene]amine

8003-3588 Screening compound: N-(1-amino-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazol-5-yl)-N-[(Z)-1-(2-furyl)methylidene]amine
8003-3588 Screening compound: N-(1-amino-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazol-5-yl)-N-[(Z)-1-(2-furyl)methylidene]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-3588
N-(1-amino-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazol-5-yl)-N-[(Z)-1-(2-furyl)methylidene]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

8003-3588

Molecular Formula

C8H7N7O (C8 H7 N7 O)

Compound Name

N-(1-amino-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazol-5-yl)-N-[(Z)-1-(2-furyl)methylidene]amine

IUPAC name

(5Z)-N5-[(furan-2-yl)methylidene]-1H-[124]triazolo[34-c][124]triazole-15-diamine

SMILES

Nn1ncn2c(/N=C\c3ccco3)nnc12

InChI

InChI=1S/C8H7N7O/c9-15-8-13-12-7(14(8)5-11-15)10-4-6-2-1-3-16-6/h1-5H,9H2

InChI Key

KUYNXJSGFDGQMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00743566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

217.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.681

Distribution Coefficient, logD

-0.683

Water Solubility, LogSw

-0.98

Polar Surface Area

71.612

Acid Dissociation Constant (pKa)

17.67

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8003-3588 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 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 8003-3588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-3588?
Check Price and Availability of 8003-3588, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8003-3588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-3588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-3588
  • 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 8003-3588 available by request