8017-5232 Screening compound: 2'-amino-5-methyl-2,5'-dioxo-1'-pyridin-3-yl-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile

8017-5232 Screening compound: 2'-amino-5-methyl-2,5'-dioxo-1'-pyridin-3-yl-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
8017-5232 Screening compound: 2'-amino-5-methyl-2,5'-dioxo-1'-pyridin-3-yl-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 8017-5232
2'-amino-5-methyl-2,5'-dioxo-1'-pyridin-3-yl-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

8017-5232

Molecular Formula

C23H19N5O2 (C23 H19 N5 O2)

Compound Name

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

IUPAC name

2'-amino-5-methyl-25'-dioxo-1'-(pyridin-3-yl)-125'6'7'8'-hexahydro-1'H-spiro[indole-34'-quinoline]-3'-carbonitrile

SMILES

Cc(cc1)cc(C2(C3=C4CCCC3=O)C(C#N)=C(N)N4c3cnccc3)c1NC2=O

InChI

InChI=1S/C23H19N5O2/c1-13-7-8-17-15(10-13)23(22(30)27-17)16(11-24)21(25)28(14-4-3-9-26-12-14)18-5-2-6-19(29)20(18)23/h3-4,7-10,12H,2,5-6,25H2,1H3,(H,27,30)/t23-/m1/s1

InChI Key

KPQHSZAVMGOPAU-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD06017589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.934

Distribution Coefficient, logD

1.934

Water Solubility, LogSw

-2.52

Polar Surface Area

87.138

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.74

References: we are preparing a list of scientific research reports with 8017-5232 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5232
  • 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 8017-5232 available by request