E196-0424 Screening compound: N-(3-methylphenyl)-2-({4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydropteridin-2-yl}sulfanyl)acetamide

E196-0424 Screening compound: N-(3-methylphenyl)-2-({4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydropteridin-2-yl}sulfanyl)acetamide
E196-0424 Screening compound: N-(3-methylphenyl)-2-({4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydropteridin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E196-0424
N-(3-methylphenyl)-2-({4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydropteridin-2-yl}sulfanyl)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

E196-0424

Molecular Formula

C20H17N5O2S2 (C20 H17 N5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(CSC(N(Cc2cccs2)C2=O)=Nc3c2nccn3)=O)c1

InChI

InChI=1S/C20H17N5O2S2/c1-13-4-2-5-14(10-13)23-16(26)12-29-20-24-18-17(21-7-8-22-18)19(27)25(20)11-15-6-3-9-28-15/h2-10H,11-12H2,1H3,(H,23,26)

InChI Key

BRAGUTOPLRSXFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.52

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

3.084

Distribution Coefficient, logD

3.084

Water Solubility, LogSw

-3.13

Polar Surface Area

69.471

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E196-0424 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E196-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E196-0424?
Check Price and Availability of E196-0424, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E196-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E196-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E196-0424
  • 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 E196-0424 available by request