8003-4624 Screening compound: 3'-acetyl-6'-amino-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-5'-carbonitrile

8003-4624 Screening compound: 3'-acetyl-6'-amino-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-5'-carbonitrile
8003-4624 Screening compound: 3'-acetyl-6'-amino-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-5'-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4624
3'-acetyl-6'-amino-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-5'-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

8003-4624

Molecular Formula

C16H13N3O3 (C16 H13 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C16H13N3O3/c1-8(20)13-9(2)22-14(18)11(7-17)16(13)10-5-3-4-6-12(10)19-15(16)21/h3-6H,18H2,1-2H3,(H,19,21)/t16-/m1/s1

InChI Key

CXAUWNQUZMMPGF-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD00112578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.912

Distribution Coefficient, logD

0.912

Water Solubility, LogSw

-2.21

Polar Surface Area

85.763

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.75

8003-4624 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8003-4624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4624?
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What is the minimum amount of 8003-4624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4624
  • 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 8003-4624 available by request