8016-0840 Screening compound: 2'-amino-1'-(4-ethylphenyl)-5-fluoro-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile

8016-0840 Screening compound: 2'-amino-1'-(4-ethylphenyl)-5-fluoro-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
8016-0840 Screening compound: 2'-amino-1'-(4-ethylphenyl)-5-fluoro-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 8016-0840
2'-amino-1'-(4-ethylphenyl)-5-fluoro-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

8016-0840

Molecular Formula

C25H21FN4O2 (C25 H21 FN4 O2)

Compound Name

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

IUPAC name

2'-amino-1'-(4-ethylphenyl)-5-fluoro-25'-dioxo-125'6'7'8'-hexahydro-1'H-spiro[indole-34'-quinoline]-3'-carbonitrile

SMILES

CCc(cc1)ccc1N(C(CCC1)=C(C2(c(cc(cc3)F)c3N3)C3=O)C1=O)C(N)=C2C#N

InChI

InChI=1S/C25H21FN4O2/c1-2-14-6-9-16(10-7-14)30-20-4-3-5-21(31)22(20)25(18(13-27)23(30)28)17-12-15(26)8-11-19(17)29-24(25)32/h6-12H,2-5,28H2,1H3,(H,29,32)/t25-/m1/s1

InChI Key

LCBIPMGNSVXRJF-RUZDIDTESA-N

MDL Number (MFCD)

MFCD05260111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.47

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

3.684

Distribution Coefficient, logD

3.682

Water Solubility, LogSw

-4.12

Polar Surface Area

77.620

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with 8016-0840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0840?
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What is the minimum amount of 8016-0840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0840
  • 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 8016-0840 available by request