8014-2898 Screening compound: 5,5-dimethyl-3-({2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}amino)-2-pentanoylcyclohex-2-en-1-one

8014-2898 Screening compound: 5,5-dimethyl-3-({2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}amino)-2-pentanoylcyclohex-2-en-1-one
8014-2898 Screening compound: 5,5-dimethyl-3-({2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}amino)-2-pentanoylcyclohex-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2898
5,5-dimethyl-3-({2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}amino)-2-pentanoylcyclohex-2-en-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

8014-2898

Molecular Formula

C25H31F3N2O3 (C25 H31 F3 N2 O3)

Compound Name

5,5-dimethyl-3-({2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}amino)-2-pentanoylcyclohex-2-en-1-one

IUPAC name

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

SMILES

CCCCC(C(C(CC(C)(C)C1)=O)=C1NCCc1c(C)[nH]c(cc2)c1cc2OC(F)(F)F)=O

InChI

InChI=1S/C25H31F3N2O3/c1-5-6-7-21(31)23-20(13-24(3,4)14-22(23)32)29-11-10-17-15(2)30-19-9-8-16(12-18(17)19)33-25(26,27)28/h8-9,12,29-30H,5-7,10-11,13-14H2,1-4H3

InChI Key

VPDYGLZJNIGSFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.897

Distribution Coefficient, logD

5.814

Water Solubility, LogSw

-5.47

Polar Surface Area

52.673

Acid Dissociation Constant (pKa)

8.08

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

References: we are preparing a list of scientific research reports with 8014-2898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2898?
Check Price and Availability of 8014-2898, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8014-2898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2898
  • 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 8014-2898 available by request