8012-0470 Screening compound: ethyl 2-[2,6,6-trimethyl-4-oxo-3-(2,2,2-trichloroethyl)-4,5,6,7-tetrahydro-1H-indol-1-yl]acetate

8012-0470 Screening compound: ethyl 2-[2,6,6-trimethyl-4-oxo-3-(2,2,2-trichloroethyl)-4,5,6,7-tetrahydro-1H-indol-1-yl]acetate
8012-0470 Screening compound: ethyl 2-[2,6,6-trimethyl-4-oxo-3-(2,2,2-trichloroethyl)-4,5,6,7-tetrahydro-1H-indol-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-0470
ethyl 2-[2,6,6-trimethyl-4-oxo-3-(2,2,2-trichloroethyl)-4,5,6,7-tetrahydro-1H-indol-1-yl]acetate

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

8012-0470

Molecular Formula

C17H22Cl3NO3 (C17 H22 Cl3 NO3)

Compound Name

ethyl 2-[2,6,6-trimethyl-4-oxo-3-(2,2,2-trichloroethyl)-4,5,6,7-tetrahydro-1H-indol-1-yl]acetate

IUPAC name

ethyl 2-[266-trimethyl-4-oxo-3-(222-trichloroethyl)-4567-tetrahydro-1H-indol-1-yl]acetate

SMILES

CCOC(Cn(c(C)c1CC(Cl)(Cl)Cl)c(CC(C)(C)C2)c1C2=O)=O

InChI

InChI=1S/C17H22Cl3NO3/c1-5-24-14(23)9-21-10(2)11(6-17(18,19)20)15-12(21)7-16(3,4)8-13(15)22/h5-9H2,1-4H3

InChI Key

SHDMMJRMKPSDLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02933713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.72

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.214

Distribution Coefficient, logD

4.214

Water Solubility, LogSw

-4.64

Polar Surface Area

35.519

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

-4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.71

References: we are preparing a list of scientific research reports with 8012-0470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-0470?
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What is the minimum amount of 8012-0470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-0470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-0470
  • 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 8012-0470 available by request