D388-0873 Screening compound: 2-methyl-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]propanamide

D388-0873 Screening compound: 2-methyl-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]propanamide
D388-0873 Screening compound: 2-methyl-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D388-0873
2-methyl-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]propanamide

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

D388-0873

Molecular Formula

C17H26N2O (C17 H26 N2 O)

Compound Name

2-methyl-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]propanamide

IUPAC name

2-methyl-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]propanamide

SMILES

CC(C)C(NCC(c1ccc(C)cc1)N1CCCC1)=O

InChI

InChI=1S/C17H26N2O/c1-13(2)17(20)18-12-16(19-10-4-5-11-19)15-8-6-14(3)7-9-15/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,18,20)/t16-/m0/s1

InChI Key

DNWOUQITWCLQTC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD12918423

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

274.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.861

Distribution Coefficient, logD

1.201

Water Solubility, LogSw

-3.10

Polar Surface Area

28.279

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

9.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

D388-0873 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D388-0873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D388-0873?
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What is the minimum amount of D388-0873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D388-0873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D388-0873
  • 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 D388-0873 available by request