8011-9168 Screening compound: 2-[6'-amino-5'-cyano-3'-(4-ethoxyphenyl)-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-1-yl]acetic acid

8011-9168 Screening compound: 2-[6'-amino-5'-cyano-3'-(4-ethoxyphenyl)-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-1-yl]acetic acid
8011-9168 Screening compound: 2-[6'-amino-5'-cyano-3'-(4-ethoxyphenyl)-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-1-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9168
2-[6'-amino-5'-cyano-3'-(4-ethoxyphenyl)-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-1-yl]acetic acid

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

8011-9168

Molecular Formula

C24H19N5O5 (C24 H19 N5 O5)

Compound Name

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

IUPAC name

2-[6'-amino-5'-cyano-3'-(4-ethoxyphenyl)-2-oxo-12-dihydro-1'H-spiro[indole-34'-pyrano[23-c]pyrazol]-1-yl]acetic acid

SMILES

CCOc(cc1)ccc1-c1n[nH]c2c1C(c(cccc1)c1N1CC(O)=O)(C1=O)C(C#N)=C(N)O2

InChI

InChI=1S/C24H19N5O5/c1-2-33-14-9-7-13(8-10-14)20-19-22(28-27-20)34-21(26)16(11-25)24(19)15-5-3-4-6-17(15)29(23(24)32)12-18(30)31/h3-10H,2,12,26H2,1H3,(H,27,28)(H,30,31)/t24-/m0/s1

InChI Key

UZNXCPONSOLEAT-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03035430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.188

Distribution Coefficient, logD

-3.088

Water Solubility, LogSw

-2.36

Polar Surface Area

121.721

Acid Dissociation Constant (pKa)

3.12

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

8011-9168 in Drug Discovery

Included in Screening Libraries

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 8011-9168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9168?
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What is the minimum amount of 8011-9168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9168
  • 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 8011-9168 available by request