C301-3680 Screening compound: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-[(pyrrolidin-1-yl)methyl]-2H-chromen-2-one

C301-3680 Screening compound: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-[(pyrrolidin-1-yl)methyl]-2H-chromen-2-one
C301-3680 Screening compound: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-[(pyrrolidin-1-yl)methyl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3680
4-[4-(2,3-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

C301-3680

Molecular Formula

C26H31N3O2 (C26 H31 N3 O2)

Compound Name

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

IUPAC name

4-[4-(23-dimethylphenyl)piperazin-1-yl]-3-[(pyrrolidin-1-yl)methyl]-2H-chromen-2-one

SMILES

Cc1cccc(N(CC2)CCN2C(c(cccc2)c2O2)=C(CN3CCCC3)C2=O)c1C

InChI

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

InChI Key

RRNGWDBPIPZAJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696795

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

4.971

Distribution Coefficient, logD

3.225

Water Solubility, LogSw

-4.65

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

C301-3680 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-3680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3680?
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What is the minimum amount of C301-3680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3680
  • 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 C301-3680 available by request