C094-0044 Screening compound: ethyl 1-{[(4-methylphenyl)carbamoyl](phenyl)methyl}piperidine-4-carboxylate

C094-0044 Screening compound: ethyl 1-{[(4-methylphenyl)carbamoyl](phenyl)methyl}piperidine-4-carboxylate
C094-0044 Screening compound: ethyl 1-{[(4-methylphenyl)carbamoyl](phenyl)methyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-0044
ethyl 1-{[(4-methylphenyl)carbamoyl](phenyl)methyl}piperidine-4-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

C094-0044

Molecular Formula

C23H28N2O3 (C23 H28 N2 O3)

Compound Name

ethyl 1-{[(4-methylphenyl)carbamoyl](phenyl)methyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{[(4-methylphenyl)carbamoyl](phenyl)methyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(C(Nc1ccc(C)cc1)=O)c1ccccc1)=O

InChI

InChI=1S/C23H28N2O3/c1-3-28-23(27)19-13-15-25(16-14-19)21(18-7-5-4-6-8-18)22(26)24-20-11-9-17(2)10-12-20/h4-12,19,21H,3,13-16H2,1-2H3,(H,24,26)/t21-/m1/s1

InChI Key

WKULKHLBQIVALR-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03449631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.180

Distribution Coefficient, logD

4.175

Water Solubility, LogSw

-3.99

Polar Surface Area

47.108

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

C094-0044 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C094-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-0044?
Check Price and Availability of C094-0044, 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 C094-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-0044
  • 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 C094-0044 available by request