8017-9114 Screening compound: 2,5'-dioxo-2'-(1H-pyrrol-1-yl)-1'-[3-(trifluoromethyl)phenyl]-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile

8017-9114 Screening compound: 2,5'-dioxo-2'-(1H-pyrrol-1-yl)-1'-[3-(trifluoromethyl)phenyl]-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
8017-9114 Screening compound: 2,5'-dioxo-2'-(1H-pyrrol-1-yl)-1'-[3-(trifluoromethyl)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 8017-9114
2,5'-dioxo-2'-(1H-pyrrol-1-yl)-1'-[3-(trifluoromethyl)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

8017-9114

Molecular Formula

C28H19F3N4O2 (C28 H19 F3 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

N#CC(C(c(cccc1)c1N1)(C1=O)C1=C2CCCC1=O)=C(n1cccc1)N2c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C28H19F3N4O2/c29-28(30,31)17-7-5-8-18(15-17)35-22-11-6-12-23(36)24(22)27(19-9-1-2-10-21(19)33-26(27)37)20(16-32)25(35)34-13-3-4-14-34/h1-5,7-10,13-15H,6,11-12H2,(H,33,37)/t27-/m1/s1

InChI Key

SCUVPNHDNJCUGS-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD06619144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.933

Distribution Coefficient, logD

4.933

Water Solubility, LogSw

-4.80

Polar Surface Area

61.797

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.86

References: we are preparing a list of scientific research reports with 8017-9114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9114?
Check Price and Availability of 8017-9114, 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 8017-9114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9114
  • 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 8017-9114 available by request