E196-0053 Screening compound: 3-[(2-chlorophenyl)methyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}-3,4-dihydropteridin-4-one

E196-0053 Screening compound: 3-[(2-chlorophenyl)methyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}-3,4-dihydropteridin-4-one
E196-0053 Screening compound: 3-[(2-chlorophenyl)methyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}-3,4-dihydropteridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E196-0053
3-[(2-chlorophenyl)methyl]-2-{[(4-fluorophenyl)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

E196-0053

Molecular Formula

C20H14ClFN4OS (C20 H14 ClFN4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(Cc(cccc2)c2Cl)C(SCc(cc2)ccc2F)=Nc2c1nccn2

InChI

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

InChI Key

OIEQMHSBESNGAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844544

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

3.905

Distribution Coefficient, logD

3.905

Water Solubility, LogSw

-4.17

Polar Surface Area

45.304

Acid Dissociation Constant (pKa)

29.79

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with E196-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E196-0053?
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What is the minimum amount of E196-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E196-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E196-0053
  • 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 E196-0053 available by request