8017-6908 Screening compound: 1-benzyl-1'-(4-fluorophenyl)-2,5'-dioxo-2'-(1H-pyrrol-1-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile

8017-6908 Screening compound: 1-benzyl-1'-(4-fluorophenyl)-2,5'-dioxo-2'-(1H-pyrrol-1-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
8017-6908 Screening compound: 1-benzyl-1'-(4-fluorophenyl)-2,5'-dioxo-2'-(1H-pyrrol-1-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 8017-6908
1-benzyl-1'-(4-fluorophenyl)-2,5'-dioxo-2'-(1H-pyrrol-1-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

8017-6908

Molecular Formula

C34H25FN4O2 (C34 H25 FN4 O2)

Compound Name

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

IUPAC name

1-benzyl-1'-(4-fluorophenyl)-25'-dioxo-2'-(1H-pyrrol-1-yl)-125'6'7'8'-hexahydro-1'H-spiro[indole-34'-quinoline]-3'-carbonitrile

SMILES

N#CC(C(c(cccc1)c1N1Cc2ccccc2)(C1=O)C1=C2CCCC1=O)=C(n1cccc1)N2c(cc1)ccc1F

InChI

InChI=1S/C34H25FN4O2/c35-24-15-17-25(18-16-24)39-29-13-8-14-30(40)31(29)34(27(21-36)32(39)37-19-6-7-20-37)26-11-4-5-12-28(26)38(33(34)41)22-23-9-2-1-3-10-23/h1-7,9-12,15-20H,8,13-14,22H2/t34-/m1/s1

InChI Key

ZBGYAVLLNLINSV-UUWRZZSWSA-N

MDL Number (MFCD)

MFCD06617440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.862

Distribution Coefficient, logD

5.862

Water Solubility, LogSw

-5.81

Polar Surface Area

52.022

Acid Dissociation Constant (pKa)

22.08

Base Dissociation Constant (pKb)

-3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.71

References: we are preparing a list of scientific research reports with 8017-6908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6908?
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What is the minimum amount of 8017-6908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6908
  • 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 8017-6908 available by request