D491-7456 Screening compound: 2-(2,3-dimethylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]acetamide

D491-7456 Screening compound: 2-(2,3-dimethylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]acetamide
D491-7456 Screening compound: 2-(2,3-dimethylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-7456
2-(2,3-dimethylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]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

D491-7456

Molecular Formula

C21H28N2O3 (C21 H28 N2 O3)

Compound Name

2-(2,3-dimethylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]acetamide

IUPAC name

2-(23-dimethylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethyl]acetamide

SMILES

Cc1ccc(C(CNC(COc2c(C)c(C)ccc2)=O)N2CCCC2)o1

InChI

InChI=1S/C21H28N2O3/c1-15-7-6-8-19(17(15)3)25-14-21(24)22-13-18(23-11-4-5-12-23)20-10-9-16(2)26-20/h6-10,18H,4-5,11-14H2,1-3H3,(H,22,24)/t18-/m0/s1

InChI Key

JMOFIIZPZZTLFV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14832641

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

356.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.385

Distribution Coefficient, logD

1.795

Water Solubility, LogSw

-3.45

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

47.60

D491-7456 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D491-7456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-7456?
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What is the minimum amount of D491-7456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-7456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-7456
  • 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 D491-7456 available by request