8018-2448 Screening compound: 2-{2'-amino-3'-cyano-6'-methyl-2,5'-dioxo-1,2,5',6'-tetrahydrospiro[indole-3,4'-pyrano[3,2-c]quinolin]-1-yl}-N-phenylacetamide

8018-2448 Screening compound: 2-{2'-amino-3'-cyano-6'-methyl-2,5'-dioxo-1,2,5',6'-tetrahydrospiro[indole-3,4'-pyrano[3,2-c]quinolin]-1-yl}-N-phenylacetamide
8018-2448 Screening compound: 2-{2'-amino-3'-cyano-6'-methyl-2,5'-dioxo-1,2,5',6'-tetrahydrospiro[indole-3,4'-pyrano[3,2-c]quinolin]-1-yl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2448
2-{2'-amino-3'-cyano-6'-methyl-2,5'-dioxo-1,2,5',6'-tetrahydrospiro[indole-3,4'-pyrano[3,2-c]quinolin]-1-yl}-N-phenylacetamide

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

8018-2448

Molecular Formula

C29H21N5O4 (C29 H21 N5 O4)

Compound Name

2-{2'-amino-3'-cyano-6'-methyl-2,5'-dioxo-1,2,5',6'-tetrahydrospiro[indole-3,4'-pyrano[3,2-c]quinolin]-1-yl}-N-phenylacetamide

IUPAC name

2-{2'-amino-3'-cyano-6'-methyl-25'-dioxo-125'6'-tetrahydrospiro[indole-34'-pyrano[32-c]quinolin]-1-yl}-N-phenylacetamide

SMILES

CN(c(cccc1)c1C1=C2C(c(cccc3)c3N3CC(Nc4ccccc4)=O)(C3=O)C(C#N)=C(N)O1)C2=O

InChI

InChI=1S/C29H21N5O4/c1-33-21-13-7-5-11-18(21)25-24(27(33)36)29(20(15-30)26(31)38-25)19-12-6-8-14-22(19)34(28(29)37)16-23(35)32-17-9-3-2-4-10-17/h2-14H,16,31H2,1H3,(H,32,35)/t29-/m1/s1

InChI Key

VRYKIPFDKNVIHH-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD07657591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.502

Distribution Coefficient, logD

2.502

Water Solubility, LogSw

-3.24

Polar Surface Area

100.536

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.30

8018-2448 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-2448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2448?
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What is the minimum amount of 8018-2448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2448
  • 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 8018-2448 available by request