8015-2271 Screening compound: 2,2,2-trifluoroethyl 2-({2-[5-(chlorodifluoromethoxy)-2-methyl-1H-indol-3-yl]ethyl}carbamoyl)cyclohexane-1-carboxylate

8015-2271 Screening compound: 2,2,2-trifluoroethyl 2-({2-[5-(chlorodifluoromethoxy)-2-methyl-1H-indol-3-yl]ethyl}carbamoyl)cyclohexane-1-carboxylate
8015-2271 Screening compound: 2,2,2-trifluoroethyl 2-({2-[5-(chlorodifluoromethoxy)-2-methyl-1H-indol-3-yl]ethyl}carbamoyl)cyclohexane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2271
2,2,2-trifluoroethyl 2-({2-[5-(chlorodifluoromethoxy)-2-methyl-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

8015-2271

Molecular Formula

C22H24ClF5N2O4 (C22 H24 ClF5 N2 O4)

Compound Name

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

IUPAC name

222-trifluoroethyl 2-({2-[5-(chlorodifluoromethoxy)-2-methyl-1H-indol-3-yl]ethyl}carbamoyl)cyclohexane-1-carboxylate

SMILES

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

InChI

InChI=1S/C22H24ClF5N2O4/c1-12-14(17-10-13(34-22(23,27)28)6-7-18(17)30-12)8-9-29-19(31)15-4-2-3-5-16(15)20(32)33-11-21(24,25)26/h6-7,10,15-16,30H,2-5,8-9,11H2,1H3,(H,29,31)

InChI Key

AXEQZPRCSQWEQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03856137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.207

Distribution Coefficient, logD

5.207

Water Solubility, LogSw

-5.58

Polar Surface Area

62.238

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.50

8015-2271 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-2271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2271?
Check Price and Availability of 8015-2271, 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 8015-2271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2271
  • 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 8015-2271 available by request