E196-0313 Screening compound: 2-({3-[(4-chlorophenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(3-methylphenyl)acetamide

E196-0313 Screening compound: 2-({3-[(4-chlorophenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(3-methylphenyl)acetamide
E196-0313 Screening compound: 2-({3-[(4-chlorophenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E196-0313
2-({3-[(4-chlorophenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(3-methylphenyl)acetamide

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

E196-0313

Molecular Formula

C22H18ClN5O2S (C22 H18 ClN5 O2 S)

Compound Name

2-({3-[(4-chlorophenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(3-methylphenyl)acetamide

IUPAC name

2-({3-[(4-chlorophenyl)methyl]-4-oxo-34-dihydropteridin-2-yl}sulfanyl)-N-(3-methylphenyl)acetamide

SMILES

Cc1cccc(NC(CSC(N(Cc(cc2)ccc2Cl)C2=O)=Nc3c2nccn3)=O)c1

InChI

InChI=1S/C22H18ClN5O2S/c1-14-3-2-4-17(11-14)26-18(29)13-31-22-27-20-19(24-9-10-25-20)21(30)28(22)12-15-5-7-16(23)8-6-15/h2-11H,12-13H2,1H3,(H,26,29)

InChI Key

RAMMCYZXBBOGNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.022

Distribution Coefficient, logD

4.022

Water Solubility, LogSw

-4.30

Polar Surface Area

68.453

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with E196-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E196-0313?
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What is the minimum amount of E196-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E196-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E196-0313
  • 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 E196-0313 available by request