D537-0222 Screening compound: 1-(3-ethoxyquinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

D537-0222 Screening compound: 1-(3-ethoxyquinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
D537-0222 Screening compound: 1-(3-ethoxyquinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D537-0222
1-(3-ethoxyquinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

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

D537-0222

Molecular Formula

C23H23F3N4O2 (C23 H23 F3 N4 O2)

Compound Name

1-(3-ethoxyquinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

IUPAC name

1-(3-ethoxyquinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

SMILES

CCOc1nc2ccccc2nc1N(CCC1)CC1C(Nc1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C23H23F3N4O2/c1-2-32-22-20(28-18-10-3-4-11-19(18)29-22)30-12-6-7-15(14-30)21(31)27-17-9-5-8-16(13-17)23(24,25)26/h3-5,8-11,13,15H,2,6-7,12,14H2,1H3,(H,27,31)/t15-/m0/s1

InChI Key

PDMQRTLVGIGAAE-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14859636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.384

Distribution Coefficient, logD

5.380

Water Solubility, LogSw

-5.33

Polar Surface Area

51.463

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

D537-0222 in Drug Discovery

Included in Screening Libraries

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with D537-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D537-0222?
Check Price and Availability of D537-0222, 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 D537-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D537-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D537-0222
  • 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 D537-0222 available by request