8017-9138 Screening compound: 2'-amino-7'-methyl-2,5'-dioxo-1'-phenyl-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile

8017-9138 Screening compound: 2'-amino-7'-methyl-2,5'-dioxo-1'-phenyl-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
8017-9138 Screening compound: 2'-amino-7'-methyl-2,5'-dioxo-1'-phenyl-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9138
2'-amino-7'-methyl-2,5'-dioxo-1'-phenyl-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-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

8017-9138

Molecular Formula

C24H20N4O2 (C24 H20 N4 O2)

Compound Name

2'-amino-7'-methyl-2,5'-dioxo-1'-phenyl-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile

IUPAC name

2'-amino-7'-methyl-25'-dioxo-1'-phenyl-125'6'7'8'-hexahydro-1'H-spiro[indole-34'-quinoline]-3'-carbonitrile

SMILES

CC(C1)CC(N(c2ccccc2)C(N)=C(C2(c(cccc3)c3N3)C3=O)C#N)=C2C1=O

InChI

InChI=1S/C24H20N4O2/c1-14-11-19-21(20(29)12-14)24(16-9-5-6-10-18(16)27-23(24)30)17(13-25)22(26)28(19)15-7-3-2-4-8-15/h2-10,14H,11-12,26H2,1H3,(H,27,30)

InChI Key

PCUBSJCNPGMETO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06619168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.185

Distribution Coefficient, logD

3.185

Water Solubility, LogSw

-3.85

Polar Surface Area

77.620

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.83

8017-9138 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-9138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9138?
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What is the minimum amount of 8017-9138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9138
  • 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 8017-9138 available by request