D202-0045 Screening compound: 2-(2-chlorophenoxy)-N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]acetamide

D202-0045 Screening compound: 2-(2-chlorophenoxy)-N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]acetamide
D202-0045 Screening compound: 2-(2-chlorophenoxy)-N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D202-0045
2-(2-chlorophenoxy)-N-[2-(furan-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

D202-0045

Molecular Formula

C18H21ClN2O3 (C18 H21 ClN2 O3)

Compound Name

2-(2-chlorophenoxy)-N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]acetamide

IUPAC name

2-(2-chlorophenoxy)-N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]acetamide

SMILES

O=C(COc(cccc1)c1Cl)NCC(c1ccco1)N1CCCC1

InChI

InChI=1S/C18H21ClN2O3/c19-14-6-1-2-7-16(14)24-13-18(22)20-12-15(17-8-5-11-23-17)21-9-3-4-10-21/h1-2,5-8,11,15H,3-4,9-10,12-13H2,(H,20,22)/t15-/m0/s1

InChI Key

LIJVINSXPPJQJP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD09845809

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

348.83

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

2.372

Distribution Coefficient, logD

1.714

Water Solubility, LogSw

-2.99

Polar Surface Area

43.958

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

7.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

D202-0045 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D202-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D202-0045?
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What is the minimum amount of D202-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D202-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D202-0045
  • 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 D202-0045 available by request