8011-8111 Screening compound: methyl 2-[6'-amino-3'-(2H-1,3-benzodioxol-5-yl)-5'-cyano-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-1-yl]acetate

8011-8111 Screening compound: methyl 2-[6'-amino-3'-(2H-1,3-benzodioxol-5-yl)-5'-cyano-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-1-yl]acetate
8011-8111 Screening compound: methyl 2-[6'-amino-3'-(2H-1,3-benzodioxol-5-yl)-5'-cyano-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-8111
methyl 2-[6'-amino-3'-(2H-1,3-benzodioxol-5-yl)-5'-cyano-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-1-yl]acetate

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

8011-8111

Molecular Formula

C24H17N5O6 (C24 H17 N5 O6)

Compound Name

methyl 2-[6'-amino-3'-(2H-1,3-benzodioxol-5-yl)-5'-cyano-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-1-yl]acetate

IUPAC name

methyl 2-[6'-amino-3'-(2H-13-benzodioxol-5-yl)-5'-cyano-2-oxo-12-dihydro-1'H-spiro[indole-34'-pyrano[23-c]pyrazol]-1-yl]acetate

SMILES

COC(CN(C(C12C(C#N)=C(N)Oc3c1c(-c(cc1)cc4c1OCO4)n[nH]3)=O)c1c2cccc1)=O

InChI

InChI=1S/C24H17N5O6/c1-32-18(30)10-29-15-5-3-2-4-13(15)24(23(29)31)14(9-25)21(26)35-22-19(24)20(27-28-22)12-6-7-16-17(8-12)34-11-33-16/h2-8H,10-11,26H2,1H3,(H,27,28)/t24-/m0/s1

InChI Key

LIDJMXJXFZQFQJ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03035363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.888

Distribution Coefficient, logD

1.888

Water Solubility, LogSw

-2.99

Polar Surface Area

123.908

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

8011-8111 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8011-8111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-8111?
Check Price and Availability of 8011-8111, 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 8011-8111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-8111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-8111
  • 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 8011-8111 available by request