8019-1016 Screening compound: N-{6,6-dimethyl-2,4-dioxo-1-[(oxolan-2-yl)methyl]-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}acetamide

8019-1016 Screening compound: N-{6,6-dimethyl-2,4-dioxo-1-[(oxolan-2-yl)methyl]-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}acetamide
8019-1016 Screening compound: N-{6,6-dimethyl-2,4-dioxo-1-[(oxolan-2-yl)methyl]-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1016
N-{6,6-dimethyl-2,4-dioxo-1-[(oxolan-2-yl)methyl]-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}acetamide

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

8019-1016

Molecular Formula

C18H23F3N2O4 (C18 H23 F3 N2 O4)

Compound Name

N-{6,6-dimethyl-2,4-dioxo-1-[(oxolan-2-yl)methyl]-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}acetamide

IUPAC name

N-{66-dimethyl-24-dioxo-1-[(oxolan-2-yl)methyl]-3-(trifluoromethyl)-234567-hexahydro-1H-indol-3-yl}acetamide

SMILES

CC(C)(CC(N(CC1OCCC1)C1=O)=C2C1(C(F)(F)F)NC(C)=O)CC2=O

InChI

InChI=1S/C18H23F3N2O4/c1-10(24)22-17(18(19,20)21)14-12(7-16(2,3)8-13(14)25)23(15(17)26)9-11-5-4-6-27-11/h11H,4-9H2,1-3H3,(H,22,24)

InChI Key

DAUKFMFYVDVXAL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.184

Distribution Coefficient, logD

-1.508

Water Solubility, LogSw

-1.80

Polar Surface Area

63.148

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-5.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

72.20

References: we are preparing a list of scientific research reports with 8019-1016 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1016
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Delivery formats for 8019-1016
  • 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 8019-1016 available by request