8019-0302 Screening compound: 2-amino-3-(4-chlorobenzoyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile

8019-0302 Screening compound: 2-amino-3-(4-chlorobenzoyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile
8019-0302 Screening compound: 2-amino-3-(4-chlorobenzoyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0302
2-amino-3-(4-chlorobenzoyl)-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

8019-0302

Molecular Formula

C16H14ClN3O (C16 H14 ClN3 O)

Compound Name

2-amino-3-(4-chlorobenzoyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile

IUPAC name

2-amino-3-(4-chlorobenzoyl)-5678-tetrahydroindolizine-1-carbonitrile

SMILES

Nc1c(C(c(cc2)ccc2Cl)=O)n(CCCC2)c2c1C#N

InChI

InChI=1S/C16H14ClN3O/c17-11-6-4-10(5-7-11)16(21)15-14(19)12(9-18)13-3-1-2-8-20(13)15/h4-7H,1-3,8,19H2

InChI Key

AKNBGQXWKYZVQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.76

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

3.192

Distribution Coefficient, logD

3.192

Water Solubility, LogSw

-4.07

Polar Surface Area

50.447

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8019-0302 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8019-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0302?
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What is the minimum amount of 8019-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0302
  • 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 8019-0302 available by request