8015-5752 Screening compound: 2'-amino-1'-[2-chloro-5-(trifluoromethyl)phenyl]-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile

8015-5752 Screening compound: 2'-amino-1'-[2-chloro-5-(trifluoromethyl)phenyl]-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
8015-5752 Screening compound: 2'-amino-1'-[2-chloro-5-(trifluoromethyl)phenyl]-2,5'-dioxo-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 8015-5752
2'-amino-1'-[2-chloro-5-(trifluoromethyl)phenyl]-2,5'-dioxo-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

8015-5752

Molecular Formula

C24H16ClF3N4O2 (C24 H16 ClF3 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

NC(N(C(CCC1)=C(C2(c(cccc3)c3N3)C3=O)C1=O)c(cc(C(F)(F)F)cc1)c1Cl)=C2C#N

InChI

InChI=1S/C24H16ClF3N4O2/c25-15-9-8-12(24(26,27)28)10-18(15)32-17-6-3-7-19(33)20(17)23(14(11-29)21(32)30)13-4-1-2-5-16(13)31-22(23)34/h1-2,4-5,8-10H,3,6-7,30H2,(H,31,34)/t23-/m1/s1

InChI Key

QOWSLYKAWASTQC-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD05256918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.850

Distribution Coefficient, logD

3.850

Water Solubility, LogSw

-4.54

Polar Surface Area

77.319

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

8015-5752 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8015-5752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-5752?
Check Price and Availability of 8015-5752, 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 8015-5752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-5752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-5752
  • 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 8015-5752 available by request