E196-0324 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-methylphenyl)methyl]sulfanyl}-3,4-dihydropteridin-4-one

E196-0324 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-methylphenyl)methyl]sulfanyl}-3,4-dihydropteridin-4-one
E196-0324 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-methylphenyl)methyl]sulfanyl}-3,4-dihydropteridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E196-0324
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-methylphenyl)methyl]sulfanyl}-3,4-dihydropteridin-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

E196-0324

Molecular Formula

C22H18N4O3S (C22 H18 N4 O3 S)

Compound Name

3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-methylphenyl)methyl]sulfanyl}-3,4-dihydropteridin-4-one

IUPAC name

3-[(2H-13-benzodioxol-5-yl)methyl]-2-{[(2-methylphenyl)methyl]sulfanyl}-34-dihydropteridin-4-one

SMILES

Cc1c(CSC(N2Cc(cc3)cc4c3OCO4)=Nc3nccnc3C2=O)cccc1

InChI

InChI=1S/C22H18N4O3S/c1-14-4-2-3-5-16(14)12-30-22-25-20-19(23-8-9-24-20)21(27)26(22)11-15-6-7-17-18(10-15)29-13-28-17/h2-10H,11-13H2,1H3

InChI Key

GPWTZMSFEIHKKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.341

Distribution Coefficient, logD

4.341

Water Solubility, LogSw

-4.32

Polar Surface Area

62.419

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

E196-0324 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with E196-0324 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E196-0324?
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What is the minimum amount of E196-0324 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E196-0324
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E196-0324
  • 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 E196-0324 available by request