E196-0362 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-3,4-dihydropteridin-4-one

E196-0362 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-3,4-dihydropteridin-4-one
E196-0362 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-3,4-dihydropteridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E196-0362
2-{[(3-chlorophenyl)methyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-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

E196-0362

Molecular Formula

C20H14ClFN4OS (C20 H14 ClFN4 OS)

Compound Name

2-{[(3-chlorophenyl)methyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-3,4-dihydropteridin-4-one

IUPAC name

2-{[(3-chlorophenyl)methyl]sulfanyl}-3-[(4-fluorophenyl)methyl]-34-dihydropteridin-4-one

SMILES

O=C1N(Cc(cc2)ccc2F)C(SCc2cccc(Cl)c2)=Nc2nccnc12

InChI

InChI=1S/C20H14ClFN4OS/c21-15-3-1-2-14(10-15)12-28-20-25-18-17(23-8-9-24-18)19(27)26(20)11-13-4-6-16(22)7-5-13/h1-10H,11-12H2

InChI Key

LSEDFXDYZNSJTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.354

Distribution Coefficient, logD

4.354

Water Solubility, LogSw

-4.49

Polar Surface Area

45.304

Acid Dissociation Constant (pKa)

29.32

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

E196-0362 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E196-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E196-0362?
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What is the minimum amount of E196-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E196-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E196-0362
  • 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 E196-0362 available by request