C389-0668 Screening compound: N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C389-0668 Screening compound: N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide
C389-0668 Screening compound: N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C389-0668
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide

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

C389-0668

Molecular Formula

C21H31N3O2 (C21 H31 N3 O2)

Compound Name

N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide

IUPAC name

N-[3-(26-dimethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide

SMILES

CC1N(CCCNC(c(cc2)ccc2N(CCC2)C2=O)=O)C(C)CCC1

InChI

InChI=1S/C21H31N3O2/c1-16-6-3-7-17(2)23(16)15-5-13-22-21(26)18-9-11-19(12-10-18)24-14-4-8-20(24)25/h9-12,16-17H,3-8,13-15H2,1-2H3,(H,22,26)

InChI Key

LPSIHYJPNXQGEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.384

Distribution Coefficient, logD

-0.716

Water Solubility, LogSw

-2.79

Polar Surface Area

43.847

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

10.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.90

C389-0668 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with C389-0668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C389-0668?
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What is the minimum amount of C389-0668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C389-0668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C389-0668
  • 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 C389-0668 available by request