8538-0136 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid

8538-0136 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
8538-0136 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8538-0136
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,2,3,4-tetrahydroisoquinolin-2-yl)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

8538-0136

Molecular Formula

C15H15N7O3 (C15 H15 N7 O3)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-5-[(1234-tetrahydroisoquinolin-2-yl)methyl]-1H-123-triazole-4-carboxylic acid

SMILES

Nc1nonc1-n1nnc(C(O)=O)c1CN(CC1)Cc2c1cccc2

InChI

InChI=1S/C15H15N7O3/c16-13-14(19-25-18-13)22-11(12(15(23)24)17-20-22)8-21-6-5-9-3-1-2-4-10(9)7-21/h1-4H,5-8H2,(H2,16,18)(H,23,24)

InChI Key

VFAVMRPFBNTQEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07641171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.805

Distribution Coefficient, logD

-4.848

Water Solubility, LogSw

-1.47

Polar Surface Area

114.642

Acid Dissociation Constant (pKa)

1.65

Base Dissociation Constant (pKb)

5.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

8538-0136 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8538-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8538-0136?
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What is the minimum amount of 8538-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8538-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8538-0136
  • 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 8538-0136 available by request