D218-0073 Screening compound: N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]-3-methylbutanamide

D218-0073 Screening compound: N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]-3-methylbutanamide
D218-0073 Screening compound: N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D218-0073
N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]-3-methylbutanamide

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

D218-0073

Molecular Formula

C18H28N2O2 (C18 H28 N2 O2)

Compound Name

N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]-3-methylbutanamide

IUPAC name

N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]-3-methylbutanamide

SMILES

CC(C)CC(NCC(c(cc1)ccc1OC)N1CCCC1)=O

InChI

InChI=1S/C18H28N2O2/c1-14(2)12-18(21)19-13-17(20-10-4-5-11-20)15-6-8-16(22-3)9-7-15/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,19,21)/t17-/m0/s1

InChI Key

MQZINYNVVZKGKS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD12921467

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

304.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.592

Distribution Coefficient, logD

1.759

Water Solubility, LogSw

-2.94

Polar Surface Area

35.609

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

D218-0073 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D218-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D218-0073?
Check Price and Availability of D218-0073, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D218-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D218-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D218-0073
  • 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 D218-0073 available by request