D491-2841 Screening compound: 6-ethyl-N-[2-(4-ethylphenyl)-2-(piperidin-1-yl)ethyl]-4-oxo-4H-chromene-2-carboxamide

D491-2841 Screening compound: 6-ethyl-N-[2-(4-ethylphenyl)-2-(piperidin-1-yl)ethyl]-4-oxo-4H-chromene-2-carboxamide
D491-2841 Screening compound: 6-ethyl-N-[2-(4-ethylphenyl)-2-(piperidin-1-yl)ethyl]-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-2841
6-ethyl-N-[2-(4-ethylphenyl)-2-(piperidin-1-yl)ethyl]-4-oxo-4H-chromene-2-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

D491-2841

Molecular Formula

C27H32N2O3 (C27 H32 N2 O3)

Compound Name

6-ethyl-N-[2-(4-ethylphenyl)-2-(piperidin-1-yl)ethyl]-4-oxo-4H-chromene-2-carboxamide

IUPAC name

6-ethyl-N-[2-(4-ethylphenyl)-2-(piperidin-1-yl)ethyl]-4-oxo-4H-chromene-2-carboxamide

SMILES

CCc1ccc(C(CNC(C(Oc2c3cc(CC)cc2)=CC3=O)=O)N2CCCCC2)cc1

InChI

InChI=1S/C27H32N2O3/c1-3-19-8-11-21(12-9-19)23(29-14-6-5-7-15-29)18-28-27(31)26-17-24(30)22-16-20(4-2)10-13-25(22)32-26/h8-13,16-17,23H,3-7,14-15,18H2,1-2H3,(H,28,31)/t23-/m0/s1

InChI Key

NJIBIBUHNDSRTR-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD18077506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.56

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

5.443

Distribution Coefficient, logD

4.488

Water Solubility, LogSw

-5.33

Polar Surface Area

49.460

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

D491-2841 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D491-2841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-2841?
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What is the minimum amount of D491-2841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-2841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-2841
  • 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 D491-2841 available by request