E196-0474 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-[(4-methylphenyl)methyl]-3,4-dihydropteridin-4-one

E196-0474 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-[(4-methylphenyl)methyl]-3,4-dihydropteridin-4-one
E196-0474 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-[(4-methylphenyl)methyl]-3,4-dihydropteridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E196-0474
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-[(4-methylphenyl)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

E196-0474

Molecular Formula

C21H17ClN4OS (C21 H17 ClN4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CN2C(SCc(cc3)ccc3Cl)=Nc3nccnc3C2=O)cc1

InChI

InChI=1S/C21H17ClN4OS/c1-14-2-4-15(5-3-14)12-26-20(27)18-19(24-11-10-23-18)25-21(26)28-13-16-6-8-17(22)9-7-16/h2-11H,12-13H2,1H3

InChI Key

ZRGHMFARGYWOKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.91

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

4.410

Distribution Coefficient, logD

4.410

Water Solubility, LogSw

-4.57

Polar Surface Area

45.304

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with E196-0474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E196-0474?
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What is the minimum amount of E196-0474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E196-0474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E196-0474
  • 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 E196-0474 available by request