8008-1720 Screening compound: ethyl 2'-amino-3'-cyano-5,6'-dimethyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-5'-carboxylate

8008-1720 Screening compound: ethyl 2'-amino-3'-cyano-5,6'-dimethyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-5'-carboxylate
8008-1720 Screening compound: ethyl 2'-amino-3'-cyano-5,6'-dimethyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-5'-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-1720
ethyl 2'-amino-3'-cyano-5,6'-dimethyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-5'-carboxylate

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

8008-1720

Molecular Formula

C18H17N3O4 (C18 H17 N3 O4)

Compound Name

ethyl 2'-amino-3'-cyano-5,6'-dimethyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-5'-carboxylate

IUPAC name

ethyl 2'-amino-3'-cyano-56'-dimethyl-2-oxo-12-dihydrospiro[indole-34'-pyran]-5'-carboxylate

SMILES

CCOC(C(C1(c(cc(C)cc2)c2N2)C2=O)=C(C)OC(N)=C1C#N)=O

InChI

InChI=1S/C18H17N3O4/c1-4-24-16(22)14-10(3)25-15(20)12(8-19)18(14)11-7-9(2)5-6-13(11)21-17(18)23/h5-7H,4,20H2,1-3H3,(H,21,23)/t18-/m1/s1

InChI Key

XAJFCIBNLQNBGC-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01242813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.104

Distribution Coefficient, logD

2.104

Water Solubility, LogSw

-3.01

Polar Surface Area

92.690

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

8008-1720 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8008-1720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1720?
Check Price and Availability of 8008-1720, 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 8008-1720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1720
  • 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 8008-1720 available by request