8018-9830 Screening compound: 7-(2,3-dihydro-1H-indol-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-7-ene-10-carbonitrile

8018-9830 Screening compound: 7-(2,3-dihydro-1H-indol-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-7-ene-10-carbonitrile
8018-9830 Screening compound: 7-(2,3-dihydro-1H-indol-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-7-ene-10-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9830
7-(2,3-dihydro-1H-indol-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-7-ene-10-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

8018-9830

Molecular Formula

C17H18N4O (C17 H18 N4 O)

Compound Name

7-(2,3-dihydro-1H-indol-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-7-ene-10-carbonitrile

IUPAC name

7-(23-dihydro-1H-indol-1-yl)-9-oxo-68-diazaspiro[4.5]dec-7-ene-10-carbonitrile

SMILES

N#CC(C1(CCCC1)NC(N(CC1)c2c1cccc2)=N1)C1=O

InChI

InChI=1S/C17H18N4O/c18-11-13-15(22)19-16(20-17(13)8-3-4-9-17)21-10-7-12-5-1-2-6-14(12)21/h1-2,5-6,13H,3-4,7-10H2,(H,19,20,22)/t13-/m1/s1

InChI Key

ZHBSBRAYPWZPJA-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD08132944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.985

Distribution Coefficient, logD

-3.008

Water Solubility, LogSw

-2.51

Polar Surface Area

55.401

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

8018-9830 in Drug Discovery

Included in Screening Libraries

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

3D-Fragment Library (4274 compounds)

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

Integrin Receptors Targeted library (1715 compounds)

Soluble Diversity Library (15920 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-9830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9830?
Check Price and Availability of 8018-9830, 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 8018-9830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9830
  • 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 8018-9830 available by request