8014-9506 Screening compound: 2,2,2-trifluoroethyl 2-{[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]carbamoyl}cyclohexane-1-carboxylate

8014-9506 Screening compound: 2,2,2-trifluoroethyl 2-{[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]carbamoyl}cyclohexane-1-carboxylate
8014-9506 Screening compound: 2,2,2-trifluoroethyl 2-{[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]carbamoyl}cyclohexane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9506
2,2,2-trifluoroethyl 2-{[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]carbamoyl}cyclohexane-1-carboxylate

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

8014-9506

Molecular Formula

C22H27F3N2O3 (C22 H27 F3 N2 O3)

Compound Name

2,2,2-trifluoroethyl 2-{[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]carbamoyl}cyclohexane-1-carboxylate

IUPAC name

222-trifluoroethyl 2-{[2-(25-dimethyl-1H-indol-3-yl)ethyl]carbamoyl}cyclohexane-1-carboxylate

SMILES

Cc1c(CCNC(C(CCCC2)C2C(OCC(F)(F)F)=O)=O)c(cc(C)cc2)c2[nH]1

InChI

InChI=1S/C22H27F3N2O3/c1-13-7-8-19-18(11-13)15(14(2)27-19)9-10-26-20(28)16-5-3-4-6-17(16)21(29)30-12-22(23,24)25/h7-8,11,16-17,27H,3-6,9-10,12H2,1-2H3,(H,26,28)

InChI Key

OHOKVVUGDQTARO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03821182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.716

Distribution Coefficient, logD

4.716

Water Solubility, LogSw

-4.55

Polar Surface Area

55.741

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.50

8014-9506 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8014-9506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9506?
Check Price and Availability of 8014-9506, 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 8014-9506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9506
  • 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 8014-9506 available by request