C301-3729 Screening compound: 4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-[(pyrrolidin-1-yl)methyl]-2H-chromen-2-one

C301-3729 Screening compound: 4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-[(pyrrolidin-1-yl)methyl]-2H-chromen-2-one
C301-3729 Screening compound: 4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-[(pyrrolidin-1-yl)methyl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3729
4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-[(pyrrolidin-1-yl)methyl]-2H-chromen-2-one

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

C301-3729

Molecular Formula

C26H31N3O2 (C26 H31 N3 O2)

Compound Name

4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-[(pyrrolidin-1-yl)methyl]-2H-chromen-2-one

IUPAC name

4-[4-(24-dimethylphenyl)piperazin-1-yl]-3-[(pyrrolidin-1-yl)methyl]-2H-chromen-2-one

SMILES

Cc(cc1)cc(C)c1N(CC1)CCN1C(c(cccc1)c1O1)=C(CN2CCCC2)C1=O

InChI

InChI=1S/C26H31N3O2/c1-19-9-10-23(20(2)17-19)28-13-15-29(16-14-28)25-21-7-3-4-8-24(21)31-26(30)22(25)18-27-11-5-6-12-27/h3-4,7-10,17H,5-6,11-16,18H2,1-2H3

InChI Key

PLYDMWYELDUIPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.185

Distribution Coefficient, logD

3.439

Water Solubility, LogSw

-5.03

Polar Surface Area

31.589

Acid Dissociation Constant (pKa)

27.66

Base Dissociation Constant (pKb)

9.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

C301-3729 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C301-3729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3729?
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What is the minimum amount of C301-3729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3729
  • 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 C301-3729 available by request