3577-0169 Screening compound: ISOPROPYL 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-5-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYLMETHYL]-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE

3577-0169 Screening compound: ISOPROPYL 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-5-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYLMETHYL]-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE
3577-0169 Screening compound: ISOPROPYL 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-5-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYLMETHYL]-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3577-0169
ISOPROPYL 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-5-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYLMETHYL]-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

3577-0169

Molecular Formula

C18H21N7O3 (C18 H21 N7 O3)

Compound Name

ISOPROPYL 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-5-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYLMETHYL]-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE

IUPAC name

n/a

SMILES

CC(C)OC(c1c(CN(CC2)Cc3c2cccc3)n(-c2nonc2N)nn1)=O

InChI

InChI=1S/C18H21N7O3/c1-11(2)27-18(26)15-14(25(23-20-15)17-16(19)21-28-22-17)10-24-8-7-12-5-3-4-6-13(12)9-24/h3-6,11H,7-10H2,1-2H3,(H2,19,21)

InChI Key

AXTPHIGRLIBRCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01822174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.304

Distribution Coefficient, logD

2.032

Water Solubility, LogSw

-2.45

Polar Surface Area

106.666

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

7.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.00

3577-0169 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with 3577-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3577-0169?
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What is the minimum amount of 3577-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3577-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3577-0169
  • 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 3577-0169 available by request