E196-0270 Screening compound: N-(2,5-dimethylphenyl)-2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)acetamide

E196-0270 Screening compound: N-(2,5-dimethylphenyl)-2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)acetamide
E196-0270 Screening compound: N-(2,5-dimethylphenyl)-2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E196-0270
N-(2,5-dimethylphenyl)-2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-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

E196-0270

Molecular Formula

C26H24N6O2S (C26 H24 N6 O2 S)

Compound Name

N-(2,5-dimethylphenyl)-2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)acetamide

IUPAC name

N-(25-dimethylphenyl)-2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-34-dihydropteridin-2-yl}sulfanyl)acetamide

SMILES

Cc1cc(NC(CSC(N2CCc3c[nH]c4c3cccc4)=Nc3nccnc3C2=O)=O)c(C)cc1

InChI

InChI=1S/C26H24N6O2S/c1-16-7-8-17(2)21(13-16)30-22(33)15-35-26-31-24-23(27-10-11-28-24)25(34)32(26)12-9-18-14-29-20-6-4-3-5-19(18)20/h3-8,10-11,13-14,29H,9,12,15H2,1-2H3,(H,30,33)

InChI Key

WKYPZWZKXPNPER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.308

Distribution Coefficient, logD

3.308

Water Solubility, LogSw

-3.43

Polar Surface Area

77.604

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

E196-0270 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E196-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E196-0270?
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What is the minimum amount of E196-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E196-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E196-0270
  • 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 E196-0270 available by request