D491-6986 Screening compound: N-[2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2-phenoxyacetamide

D491-6986 Screening compound: N-[2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2-phenoxyacetamide
D491-6986 Screening compound: N-[2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-6986
N-[2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2-phenoxyacetamide

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

D491-6986

Molecular Formula

C19H25N3O3 (C19 H25 N3 O3)

Compound Name

N-[2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2-phenoxyacetamide

IUPAC name

N-[2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2-phenoxyacetamide

SMILES

CN(CC1)CCN1C(CNC(COc1ccccc1)=O)c1ccco1

InChI

InChI=1S/C19H25N3O3/c1-21-9-11-22(12-10-21)17(18-8-5-13-24-18)14-20-19(23)15-25-16-6-3-2-4-7-16/h2-8,13,17H,9-12,14-15H2,1H3,(H,20,23)/t17-/m0/s1

InChI Key

SVEUAWFZSDUWGE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14832581

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.329

Distribution Coefficient, logD

0.849

Water Solubility, LogSw

-1.64

Polar Surface Area

46.982

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

7.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

D491-6986 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 D491-6986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-6986?
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What is the minimum amount of D491-6986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-6986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-6986
  • 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 D491-6986 available by request