8016-1993 Screening compound: 3-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]amino}-5,5-dimethyl-2-propionyl-2-cyclohexen-1-one

8016-1993 Screening compound: 3-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]amino}-5,5-dimethyl-2-propionyl-2-cyclohexen-1-one
8016-1993 Screening compound: 3-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]amino}-5,5-dimethyl-2-propionyl-2-cyclohexen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-1993
3-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]amino}-5,5-dimethyl-2-propionyl-2-cyclohexen-1-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

8016-1993

Molecular Formula

C22H27FN2O2 (C22 H27 FN2 O2)

Compound Name

3-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]amino}-5,5-dimethyl-2-propionyl-2-cyclohexen-1-one

IUPAC name

3-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]amino}-55-dimethyl-2-propanoylcyclohex-2-en-1-one

SMILES

CCC(C(C(CC(C)(C)C1)=O)=C1NCCc1c(C)[nH]c(cc2)c1cc2F)=O

InChI

InChI=1S/C22H27FN2O2/c1-5-19(26)21-18(11-22(3,4)12-20(21)27)24-9-8-15-13(2)25-17-7-6-14(23)10-16(15)17/h6-7,10,24-25H,5,8-9,11-12H2,1-4H3

InChI Key

DLMVHJJRQRZHCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05854670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.742

Distribution Coefficient, logD

3.660

Water Solubility, LogSw

-4.17

Polar Surface Area

46.736

Acid Dissociation Constant (pKa)

8.08

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

References: we are preparing a list of scientific research reports with 8016-1993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-1993?
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What is the minimum amount of 8016-1993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-1993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-1993
  • 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 8016-1993 available by request