8538-0131 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[ethyl(phenyl)amino]methyl}-1H-1,2,3-triazole-4-carboxylic acid

8538-0131 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[ethyl(phenyl)amino]methyl}-1H-1,2,3-triazole-4-carboxylic acid
8538-0131 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[ethyl(phenyl)amino]methyl}-1H-1,2,3-triazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8538-0131
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[ethyl(phenyl)amino]methyl}-1H-1,2,3-triazole-4-carboxylic acid

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

8538-0131

Molecular Formula

C14H15N7O3 (C14 H15 N7 O3)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[ethyl(phenyl)amino]methyl}-1H-1,2,3-triazole-4-carboxylic acid

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-5-{[ethyl(phenyl)amino]methyl}-1H-123-triazole-4-carboxylic acid

SMILES

CCN(Cc1c(C(O)=O)nnn1-c1nonc1N)c1ccccc1

InChI

InChI=1S/C14H15N7O3/c1-2-20(9-6-4-3-5-7-9)8-10-11(14(22)23)16-19-21(10)13-12(15)17-24-18-13/h3-7H,2,8H2,1H3,(H2,15,17)(H,22,23)

InChI Key

DAZHKAHDMGTHEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07640844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.187

Distribution Coefficient, logD

-4.831

Water Solubility, LogSw

-2.02

Polar Surface Area

113.987

Acid Dissociation Constant (pKa)

1.19

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 8538-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8538-0131?
Check Price and Availability of 8538-0131, 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 8538-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8538-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8538-0131
  • 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 8538-0131 available by request