E196-0245 Screening compound: 2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide

E196-0245 Screening compound: 2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide
E196-0245 Screening compound: 2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E196-0245
2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(2-phenylethyl)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

E196-0245

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-(2-phenylethyl)acetamide

IUPAC name

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

SMILES

O=C(CSC(N1CCc2c[nH]c3c2cccc3)=Nc2nccnc2C1=O)NCCc1ccccc1

InChI

InChI=1S/C26H24N6O2S/c33-22(27-12-10-18-6-2-1-3-7-18)17-35-26-31-24-23(28-13-14-29-24)25(34)32(26)15-11-19-16-30-21-9-5-4-8-20(19)21/h1-9,13-14,16,30H,10-12,15,17H2,(H,27,33)

InChI Key

UTQXWCKSTASAKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844717

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

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.723

Distribution Coefficient, logD

2.723

Water Solubility, LogSw

-2.93

Polar Surface Area

79.466

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

E196-0245 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with E196-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E196-0245?
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What is the minimum amount of E196-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E196-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E196-0245
  • 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 E196-0245 available by request