C301-4534 Screening compound: 1-methyl-8-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-1H,4H-chromeno[3,4-d]imidazol-4-one

C301-4534 Screening compound: 1-methyl-8-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-1H,4H-chromeno[3,4-d]imidazol-4-one
C301-4534 Screening compound: 1-methyl-8-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-1H,4H-chromeno[3,4-d]imidazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4534
1-methyl-8-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-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

C301-4534

Molecular Formula

C20H19N5O4S (C20 H19 N5 O4 S)

Compound Name

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

IUPAC name

1-methyl-8-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-1H4H-chromeno[34-d]imidazol-4-one

SMILES

Cn1c(-c(cc(cc2)S(N(CC3)CCN3c3ncccc3)(=O)=O)c2OC2=O)c2nc1

InChI

InChI=1S/C20H19N5O4S/c1-23-13-22-18-19(23)15-12-14(5-6-16(15)29-20(18)26)30(27,28)25-10-8-24(9-11-25)17-4-2-3-7-21-17/h2-7,12-13H,8-11H2,1H3

InChI Key

JGPGVAVSSALFGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09053646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.946

Distribution Coefficient, logD

1.922

Water Solubility, LogSw

-2.88

Polar Surface Area

76.396

Acid Dissociation Constant (pKa)

24.57

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C301-4534 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-4534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4534?
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What is the minimum amount of C301-4534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4534
  • 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 C301-4534 available by request