C301-4840 Screening compound: 8-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-1-ethyl-1H,4H-chromeno[3,4-d]imidazol-4-one

C301-4840 Screening compound: 8-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-1-ethyl-1H,4H-chromeno[3,4-d]imidazol-4-one
C301-4840 Screening compound: 8-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-1-ethyl-1H,4H-chromeno[3,4-d]imidazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4840
8-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-1-ethyl-1H,4H-chromeno[3,4-d]imidazol-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

C301-4840

Molecular Formula

C24H26N4O4S (C24 H26 N4 O4 S)

Compound Name

8-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-1-ethyl-1H,4H-chromeno[3,4-d]imidazol-4-one

IUPAC name

8-{[4-(25-dimethylphenyl)piperazin-1-yl]sulfonyl}-1-ethyl-1H4H-chromeno[34-d]imidazol-4-one

SMILES

CCn1c(-c(cc(cc2)S(N(CC3)CCN3c3c(C)ccc(C)c3)(=O)=O)c2OC2=O)c2nc1

InChI

InChI=1S/C24H26N4O4S/c1-4-26-15-25-22-23(26)19-14-18(7-8-21(19)32-24(22)29)33(30,31)28-11-9-27(10-12-28)20-13-16(2)5-6-17(20)3/h5-8,13-15H,4,9-12H2,1-3H3

InChI Key

MDXFGCHJSXBLNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.591

Distribution Coefficient, logD

3.591

Water Solubility, LogSw

-3.92

Polar Surface Area

66.753

Acid Dissociation Constant (pKa)

23.84

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C301-4840 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)

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 C301-4840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4840?
Check Price and Availability of C301-4840, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C301-4840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4840
  • 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 C301-4840 available by request