8020-0577 Screening compound: 2-amino-1'-methyl-2',4-dioxo-1',2'-dihydro-3-azaspiro[bicyclo[3.1.0]hexane-6,3'-indol]-2-ene-1,5-dicarbonitrile

8020-0577 Screening compound: 2-amino-1'-methyl-2',4-dioxo-1',2'-dihydro-3-azaspiro[bicyclo[3.1.0]hexane-6,3'-indol]-2-ene-1,5-dicarbonitrile
8020-0577 Screening compound: 2-amino-1'-methyl-2',4-dioxo-1',2'-dihydro-3-azaspiro[bicyclo[3.1.0]hexane-6,3'-indol]-2-ene-1,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0577
2-amino-1'-methyl-2',4-dioxo-1',2'-dihydro-3-azaspiro[bicyclo[3.1.0]hexane-6,3'-indol]-2-ene-1,5-dicarbonitrile

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

8020-0577

Molecular Formula

C15H9N5O2 (C15 H9 N5 O2)

Compound Name

2-amino-1'-methyl-2',4-dioxo-1',2'-dihydro-3-azaspiro[bicyclo[3.1.0]hexane-6,3'-indol]-2-ene-1,5-dicarbonitrile

IUPAC name

2-amino-1'-methyl-2'4-dioxo-1'2'-dihydro-3-azaspiro[bicyclo[3.1.0]hexane-63'-indol]-2-ene-15-dicarbonitrile

SMILES

CN(C(C1(C2(C(N)=NC3=O)C#N)C23C#N)=O)c2c1cccc2

InChI

InChI=1S/C15H9N5O2/c1-20-9-5-3-2-4-8(9)15(12(20)22)13(6-16)10(18)19-11(21)14(13,15)7-17/h2-5H,1H3,(H2,18,19,21)

InChI Key

JZGSTRWUQIDVJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.173

Distribution Coefficient, logD

-0.173

Water Solubility, LogSw

-2.11

Polar Surface Area

93.302

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

26.70

8020-0577 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-0577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0577?
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What is the minimum amount of 8020-0577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0577
  • 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 8020-0577 available by request