8004-9525 Screening compound: 2'-amino-5'-benzoyl-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carbonitrile

8004-9525 Screening compound: 2'-amino-5'-benzoyl-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carbonitrile
8004-9525 Screening compound: 2'-amino-5'-benzoyl-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-9525
2'-amino-5'-benzoyl-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carbonitrile

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

8004-9525

Molecular Formula

C21H15N3O3 (C21 H15 N3 O3)

Compound Name

2'-amino-5'-benzoyl-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carbonitrile

IUPAC name

2'-amino-5'-benzoyl-6'-methyl-2-oxo-12-dihydrospiro[indole-34'-pyran]-3'-carbonitrile

SMILES

CC(OC(N)=C(C1(c(cccc2)c2N2)C2=O)C#N)=C1C(c1ccccc1)=O

InChI

InChI=1S/C21H15N3O3/c1-12-17(18(25)13-7-3-2-4-8-13)21(15(11-22)19(23)27-12)14-9-5-6-10-16(14)24-20(21)26/h2-10H,23H2,1H3,(H,24,26)/t21-/m1/s1

InChI Key

QIVBTMVLJLAQHK-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD00746942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.488

Distribution Coefficient, logD

2.488

Water Solubility, LogSw

-3.23

Polar Surface Area

85.403

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

8004-9525 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 8004-9525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-9525?
Check Price and Availability of 8004-9525, 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 8004-9525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-9525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-9525
  • 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 8004-9525 available by request