8008-2494 Screening compound: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(propan-2-yl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate

8008-2494 Screening compound: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(propan-2-yl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate
8008-2494 Screening compound: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(propan-2-yl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-2494
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(propan-2-yl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate

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

8008-2494

Molecular Formula

C11H17N7O3 (C11 H17 N7 O3)

Compound Name

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

IUPAC name

ethyl 1-(4-amino-125-oxadiazol-3-yl)-5-{[(propan-2-yl)amino]methyl}-1H-123-triazole-4-carboxylate

SMILES

CCOC(c1c(CNC(C)C)n(-c2nonc2N)nn1)=O

InChI

InChI=1S/C11H17N7O3/c1-4-20-11(19)8-7(5-13-6(2)3)18(17-14-8)10-9(12)15-21-16-10/h6,13H,4-5H2,1-3H3,(H2,12,15)

InChI Key

KUFDNPNZOIOCNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01239979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.392

Distribution Coefficient, logD

-2.233

Water Solubility, LogSw

-1.09

Polar Surface Area

114.395

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

10.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

8008-2494 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 8008-2494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-2494?
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What is the minimum amount of 8008-2494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-2494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-2494
  • 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 8008-2494 available by request