D491-7429 Screening compound: N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide

D491-7429 Screening compound: N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
D491-7429 Screening compound: N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-7429
N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide

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

D491-7429

Molecular Formula

C20H26N2O3 (C20 H26 N2 O3)

Compound Name

N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide

IUPAC name

N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide

SMILES

Cc1ccc(C(CNC(COc2c(C)cccc2)=O)N2CCCC2)o1

InChI

InChI=1S/C20H26N2O3/c1-15-7-3-4-8-18(15)24-14-20(23)21-13-17(22-11-5-6-12-22)19-10-9-16(2)25-19/h3-4,7-10,17H,5-6,11-14H2,1-2H3,(H,21,23)/t17-/m0/s1

InChI Key

QZRPHSUXKINSIH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14832630

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

342.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.982

Distribution Coefficient, logD

1.391

Water Solubility, LogSw

-3.14

Polar Surface Area

43.472

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

8.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

D491-7429 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D491-7429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-7429?
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What is the minimum amount of D491-7429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-7429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-7429
  • 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 D491-7429 available by request