8014-9505 Screening compound: 2,2,2-trifluoroethyl 2-{[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]carbamoyl}cyclohexane-1-carboxylate

8014-9505 Screening compound: 2,2,2-trifluoroethyl 2-{[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]carbamoyl}cyclohexane-1-carboxylate
8014-9505 Screening compound: 2,2,2-trifluoroethyl 2-{[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]carbamoyl}cyclohexane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9505
2,2,2-trifluoroethyl 2-{[2-(2,7-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

8014-9505

Molecular Formula

C22H27F3N2O3 (C22 H27 F3 N2 O3)

Compound Name

2,2,2-trifluoroethyl 2-{[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]carbamoyl}cyclohexane-1-carboxylate

IUPAC name

222-trifluoroethyl 2-{[2-(27-dimethyl-1H-indol-3-yl)ethyl]carbamoyl}cyclohexane-1-carboxylate

SMILES

Cc1c(CCNC(C(CCCC2)C2C(OCC(F)(F)F)=O)=O)c(cccc2C)c2[nH]1

InChI

InChI=1S/C22H27F3N2O3/c1-13-6-5-9-16-15(14(2)27-19(13)16)10-11-26-20(28)17-7-3-4-8-18(17)21(29)30-12-22(23,24)25/h5-6,9,17-18,27H,3-4,7-8,10-12H2,1-2H3,(H,26,28)

InChI Key

SVDYAELSCIZCCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03821181

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

4.701

Distribution Coefficient, logD

4.701

Water Solubility, LogSw

-4.65

Polar Surface Area

56.511

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.50

8014-9505 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-9505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9505?
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What is the minimum amount of 8014-9505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9505
  • 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 8014-9505 available by request