E196-0256 Screening compound: 2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide

E196-0256 Screening compound: 2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide
E196-0256 Screening compound: 2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E196-0256
2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-[(4-methylphenyl)methyl]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

E196-0256

Molecular Formula

C26H24N6O2S (C26 H24 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(CSC(N2CCc3c[nH]c4c3cccc4)=Nc3nccnc3C2=O)=O)cc1

InChI

InChI=1S/C26H24N6O2S/c1-17-6-8-18(9-7-17)14-30-22(33)16-35-26-31-24-23(27-11-12-28-24)25(34)32(26)13-10-19-15-29-21-5-3-2-4-20(19)21/h2-9,11-12,15,29H,10,13-14,16H2,1H3,(H,30,33)

InChI Key

RDHCZLKLIHWASJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844726

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

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.372

Distribution Coefficient, logD

3.372

Water Solubility, LogSw

-3.41

Polar Surface Area

79.624

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

E196-0256 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with E196-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E196-0256?
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What is the minimum amount of E196-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E196-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E196-0256
  • 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 E196-0256 available by request