E196-0325 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chlorophenyl)methyl]sulfanyl}-3,4-dihydropteridin-4-one

E196-0325 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chlorophenyl)methyl]sulfanyl}-3,4-dihydropteridin-4-one
E196-0325 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chlorophenyl)methyl]sulfanyl}-3,4-dihydropteridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E196-0325
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chlorophenyl)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

E196-0325

Molecular Formula

C21H15ClN4O3S (C21 H15 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(Cc(cc2)cc3c2OCO3)C(SCc(cccc2)c2Cl)=Nc2nccnc12

InChI

InChI=1S/C21H15ClN4O3S/c22-15-4-2-1-3-14(15)11-30-21-25-19-18(23-7-8-24-19)20(27)26(21)10-13-5-6-16-17(9-13)29-12-28-16/h1-9H,10-12H2

InChI Key

WHSWFNIDGAORHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.89

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

4.199

Distribution Coefficient, logD

4.199

Water Solubility, LogSw

-4.42

Polar Surface Area

62.419

Acid Dissociation Constant (pKa)

29.79

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

E196-0325 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E196-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E196-0325?
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What is the minimum amount of E196-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E196-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E196-0325
  • 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 E196-0325 available by request