8014-9003 Screening compound: 2,2,2-trifluoroethyl 2-{[1-(2-chlorophenyl)-3-ethoxy-3-oxopropyl]carbamoyl}cyclohexane-1-carboxylate

8014-9003 Screening compound: 2,2,2-trifluoroethyl 2-{[1-(2-chlorophenyl)-3-ethoxy-3-oxopropyl]carbamoyl}cyclohexane-1-carboxylate
8014-9003 Screening compound: 2,2,2-trifluoroethyl 2-{[1-(2-chlorophenyl)-3-ethoxy-3-oxopropyl]carbamoyl}cyclohexane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9003
2,2,2-trifluoroethyl 2-{[1-(2-chlorophenyl)-3-ethoxy-3-oxopropyl]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

8014-9003

Molecular Formula

C21H25ClF3NO5 (C21 H25 ClF3 NO5)

Compound Name

2,2,2-trifluoroethyl 2-{[1-(2-chlorophenyl)-3-ethoxy-3-oxopropyl]carbamoyl}cyclohexane-1-carboxylate

IUPAC name

222-trifluoroethyl 2-{[1-(2-chlorophenyl)-3-ethoxy-3-oxopropyl]carbamoyl}cyclohexane-1-carboxylate

SMILES

CCOC(CC(c(cccc1)c1Cl)NC(C(CCCC1)C1C(OCC(F)(F)F)=O)=O)=O

InChI

InChI=1S/C21H25ClF3NO5/c1-2-30-18(27)11-17(15-9-5-6-10-16(15)22)26-19(28)13-7-3-4-8-14(13)20(29)31-12-21(23,24)25/h5-6,9-10,13-14,17H,2-4,7-8,11-12H2,1H3,(H,26,28)

InChI Key

YETSFNAMGSRZAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820781

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

463.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.660

Distribution Coefficient, logD

4.660

Water Solubility, LogSw

-4.62

Polar Surface Area

65.762

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

-3.19

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

57.10

References: we are preparing a list of scientific research reports with 8014-9003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9003?
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What is the minimum amount of 8014-9003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9003
  • 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 8014-9003 available by request