8006-9690 Screening compound: 4-[(1E)-3-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(2-chlorophenyl)methyl]triaz-1-en-1-yl]-1,2,5-oxadiazol-3-amine

8006-9690 Screening compound: 4-[(1E)-3-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(2-chlorophenyl)methyl]triaz-1-en-1-yl]-1,2,5-oxadiazol-3-amine
8006-9690 Screening compound: 4-[(1E)-3-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(2-chlorophenyl)methyl]triaz-1-en-1-yl]-1,2,5-oxadiazol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9690
4-[(1E)-3-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(2-chlorophenyl)methyl]triaz-1-en-1-yl]-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

8006-9690

Molecular Formula

C11H10ClN9O2 (C11 H10 ClN9 O2)

Compound Name

4-[(1E)-3-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(2-chlorophenyl)methyl]triaz-1-en-1-yl]-1,2,5-oxadiazol-3-amine

IUPAC name

4-[(1E)-3-(4-amino-125-oxadiazol-3-yl)-3-[(2-chlorophenyl)methyl]triaz-1-en-1-yl]-125-oxadiazol-3-amine

SMILES

Nc1nonc1N(Cc(cccc1)c1Cl)/N=N/c1nonc1N

InChI

InChI=1S/C11H10ClN9O2/c12-7-4-2-1-3-6(7)5-21(11-9(14)17-23-19-11)20-15-10-8(13)16-22-18-10/h1-4H,5H2,(H2,13,16)(H2,14,17)

InChI Key

MLRSTMIVLIGNNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00715202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.71

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.800

Distribution Coefficient, logD

2.800

Water Solubility, LogSw

-3.25

Polar Surface Area

136.301

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 8006-9690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9690?
Check Price and Availability of 8006-9690, 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 8006-9690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9690
  • 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 8006-9690 available by request