C066-1848 Screening compound: 2-{[3-methyl-4-(3-methylphenyl)piperazino]carbonyl}-4H-thieno[3,2-c]chromen-4-one

C066-1848 Screening compound: 2-{[3-methyl-4-(3-methylphenyl)piperazino]carbonyl}-4H-thieno[3,2-c]chromen-4-one
C066-1848 Screening compound: 2-{[3-methyl-4-(3-methylphenyl)piperazino]carbonyl}-4H-thieno[3,2-c]chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1848
2-{[3-methyl-4-(3-methylphenyl)piperazino]carbonyl}-4H-thieno[3,2-c]chromen-4-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

C066-1848

Molecular Formula

C24H22N2O3S (C24 H22 N2 O3 S)

Compound Name

2-{[3-methyl-4-(3-methylphenyl)piperazino]carbonyl}-4H-thieno[3,2-c]chromen-4-one

IUPAC name

2-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-4H-thieno[32-c]chromen-4-one

SMILES

CC(CN(CC1)C(c2cc(C(Oc3c-4cccc3)=O)c4s2)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C24H22N2O3S/c1-15-6-5-7-17(12-15)26-11-10-25(14-16(26)2)23(27)21-13-19-22(30-21)18-8-3-4-9-20(18)29-24(19)28/h3-9,12-13,16H,10-11,14H2,1-2H3/t16-/m0/s1

InChI Key

FCPMTNOYTIKFBX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14715092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.091

Distribution Coefficient, logD

5.091

Water Solubility, LogSw

-4.91

Polar Surface Area

41.034

Acid Dissociation Constant (pKa)

26.11

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C066-1848 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C066-1848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1848?
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What is the minimum amount of C066-1848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1848
  • 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 C066-1848 available by request