8015-4144 Screening compound: 1'-acetyl-2-amino-7-methyl-5-oxo-5,6,7,8-tetrahydrospiro[chromene-4,4'-piperidine]-3-carbonitrile

8015-4144 Screening compound: 1'-acetyl-2-amino-7-methyl-5-oxo-5,6,7,8-tetrahydrospiro[chromene-4,4'-piperidine]-3-carbonitrile
8015-4144 Screening compound: 1'-acetyl-2-amino-7-methyl-5-oxo-5,6,7,8-tetrahydrospiro[chromene-4,4'-piperidine]-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4144
1'-acetyl-2-amino-7-methyl-5-oxo-5,6,7,8-tetrahydrospiro[chromene-4,4'-piperidine]-3-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

8015-4144

Molecular Formula

C17H21N3O3 (C17 H21 N3 O3)

Compound Name

1'-acetyl-2-amino-7-methyl-5-oxo-5,6,7,8-tetrahydrospiro[chromene-4,4'-piperidine]-3-carbonitrile

IUPAC name

1'-acetyl-2-amino-7-methyl-5-oxo-5678-tetrahydrospiro[chromene-44'-piperidine]-3-carbonitrile

SMILES

CC(C1)CC(OC(N)=C(C2(CC3)CCN3C(C)=O)C#N)=C2C1=O

InChI

InChI=1S/C17H21N3O3/c1-10-7-13(22)15-14(8-10)23-16(19)12(9-18)17(15)3-5-20(6-4-17)11(2)21/h10H,3-8,19H2,1-2H3/t10-/m1/s1

InChI Key

NDLWBUTWTRWCHD-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD03730211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.812

Distribution Coefficient, logD

0.812

Water Solubility, LogSw

-0.94

Polar Surface Area

76.990

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

8015-4144 in Drug Discovery

Included in Screening Libraries

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

Antiparasite Library (23996 compounds)

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

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8015-4144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4144?
Check Price and Availability of 8015-4144, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8015-4144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4144
  • 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 8015-4144 available by request