8001-4071 Screening compound: 4-[(E)-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](hydroxyimino)methyl]-1,2,5-oxadiazol-3-amine

8001-4071 Screening compound: 4-[(E)-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](hydroxyimino)methyl]-1,2,5-oxadiazol-3-amine
8001-4071 Screening compound: 4-[(E)-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](hydroxyimino)methyl]-1,2,5-oxadiazol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-4071
4-[(E)-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](hydroxyimino)methyl]-1,2,5-oxadiazol-3-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

8001-4071

Molecular Formula

C13H14ClN7O4 (C13 H14 ClN7 O4)

Compound Name

4-[(E)-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](hydroxyimino)methyl]-1,2,5-oxadiazol-3-amine

IUPAC name

4-[(E)-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](hydroxyimino)methyl]-125-oxadiazol-3-amine

SMILES

Nc1nonc1/C(/N(CC1)CCN1c(ccc([N+]([O-])=O)c1)c1Cl)=N\O

InChI

InChI=1S/C13H14ClN7O4/c14-9-7-8(21(23)24)1-2-10(9)19-3-5-20(6-4-19)13(16-22)11-12(15)18-25-17-11/h1-2,7,22H,3-6H2,(H2,15,18)

InChI Key

XXKPIHVGHOWMKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00788160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.75

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.140

Distribution Coefficient, logD

2.138

Water Solubility, LogSw

-2.70

Polar Surface Area

126.375

Acid Dissociation Constant (pKa)

9.69

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

8001-4071 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8001-4071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-4071?
Check Price and Availability of 8001-4071, 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 8001-4071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-4071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-4071
  • 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 8001-4071 available by request