8015-7905 Screening compound: 3-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydro-2H-indol-2-one

8015-7905 Screening compound: 3-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydro-2H-indol-2-one
8015-7905 Screening compound: 3-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydro-2H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-7905
3-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydro-2H-indol-2-one

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

8015-7905

Molecular Formula

C22H16F6N2O (C22 H16 F6 N2 O)

Compound Name

3-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydro-2H-indol-2-one

IUPAC name

1-[3-(trifluoromethyl)phenyl]-3-{[3-(trifluoromethyl)phenyl]amino}-2456-tetrahydro-1H-indol-2-one

SMILES

O=C(C(Nc1cc(C(F)(F)F)ccc1)=C1C2=CCCC1)N2c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C22H16F6N2O/c23-21(24,25)13-5-3-7-15(11-13)29-19-17-9-1-2-10-18(17)30(20(19)31)16-8-4-6-14(12-16)22(26,27)28/h3-8,10-12,29H,1-2,9H2

InChI Key

FBPUVAXCXCEKOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05258392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.484

Distribution Coefficient, logD

6.483

Water Solubility, LogSw

-6.20

Polar Surface Area

24.218

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

-12.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

References: we are preparing a list of scientific research reports with 8015-7905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-7905?
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What is the minimum amount of 8015-7905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-7905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-7905
  • 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 8015-7905 available by request