8001-7418 Screening compound: 3-[(2E)-2-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-5-methyl-4H-1,2,4-triazol-4-amine

8001-7418 Screening compound: 3-[(2E)-2-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-5-methyl-4H-1,2,4-triazol-4-amine
8001-7418 Screening compound: 3-[(2E)-2-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-5-methyl-4H-1,2,4-triazol-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-7418
3-[(2E)-2-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-5-methyl-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

8001-7418

Molecular Formula

C14H12ClN7O3 (C14 H12 ClN7 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1nnc(N/N=C/c2ccc(-c(ccc([N+]([O-])=O)c3)c3Cl)o2)n1N

InChI

InChI=1S/C14H12ClN7O3/c1-8-18-20-14(21(8)16)19-17-7-10-3-5-13(25-10)11-4-2-9(22(23)24)6-12(11)15/h2-7H,16H2,1H3,(H,19,20)

InChI Key

CKXINTYJRDMQPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00741731

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

361.75

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.566

Distribution Coefficient, logD

2.566

Water Solubility, LogSw

-3.74

Polar Surface Area

106.873

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8001-7418 in Drug Discovery

Included in Screening Libraries

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 8001-7418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-7418?
Check Price and Availability of 8001-7418, 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 8001-7418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-7418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-7418
  • 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 8001-7418 available by request