8018-7725 Screening compound: 2-amino-1'-benzyl-4,4-dimethoxy-2'-oxo-1',2'-dihydrospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile

8018-7725 Screening compound: 2-amino-1'-benzyl-4,4-dimethoxy-2'-oxo-1',2'-dihydrospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile
8018-7725 Screening compound: 2-amino-1'-benzyl-4,4-dimethoxy-2'-oxo-1',2'-dihydrospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7725
2-amino-1'-benzyl-4,4-dimethoxy-2'-oxo-1',2'-dihydrospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-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

8018-7725

Molecular Formula

C23H19N5O3 (C23 H19 N5 O3)

Compound Name

2-amino-1'-benzyl-4,4-dimethoxy-2'-oxo-1',2'-dihydrospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile

IUPAC name

n/a

SMILES

COC(C(C1(c(cccc2)c2N2Cc3ccccc3)C2=O)(C11C#N)C#N)(N=C1N)OC

InChI

InChI=1S/C23H19N5O3/c1-30-23(31-2)21(14-25)20(13-24,18(26)27-23)22(21)16-10-6-7-11-17(16)28(19(22)29)12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H2,26,27)

InChI Key

ZAOBHYPQBJKYOM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.508

Distribution Coefficient, logD

1.543

Water Solubility, LogSw

-2.82

Polar Surface Area

94.647

Acid Dissociation Constant (pKa)

16.86

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with 8018-7725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7725?
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What is the minimum amount of 8018-7725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7725
  • 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 8018-7725 available by request