8020-1334 Screening compound: 2-amino-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile

8020-1334 Screening compound: 2-amino-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile
8020-1334 Screening compound: 2-amino-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1334
2-amino-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile

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

8020-1334

Molecular Formula

C20H21N3O (C20 H21 N3 O)

Compound Name

2-amino-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile

IUPAC name

2-amino-3-(5678-tetrahydronaphthalene-2-carbonyl)-5678-tetrahydroindolizine-1-carbonitrile

SMILES

Nc1c(C(c2cc(CCCC3)c3cc2)=O)n(CCCC2)c2c1C#N

InChI

InChI=1S/C20H21N3O/c21-12-16-17-7-3-4-10-23(17)19(18(16)22)20(24)15-9-8-13-5-1-2-6-14(13)11-15/h8-9,11H,1-7,10,22H2

InChI Key

IIMZDCMMKHLRPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12035141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.023

Distribution Coefficient, logD

4.023

Water Solubility, LogSw

-4.46

Polar Surface Area

50.367

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8020-1334 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-1334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1334?
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What is the minimum amount of 8020-1334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1334
  • 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 8020-1334 available by request