E196-0115 Screening compound: N-(4-ethylphenyl)-2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydropteridin-2-yl]sulfanyl}butanamide

E196-0115 Screening compound: N-(4-ethylphenyl)-2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydropteridin-2-yl]sulfanyl}butanamide
E196-0115 Screening compound: N-(4-ethylphenyl)-2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydropteridin-2-yl]sulfanyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E196-0115
N-(4-ethylphenyl)-2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydropteridin-2-yl]sulfanyl}butanamide

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

E196-0115

Molecular Formula

C26H27N5O2S (C26 H27 N5 O2 S)

Compound Name

N-(4-ethylphenyl)-2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydropteridin-2-yl]sulfanyl}butanamide

IUPAC name

N-(4-ethylphenyl)-2-{[4-oxo-3-(2-phenylethyl)-34-dihydropteridin-2-yl]sulfanyl}butanamide

SMILES

CCC(C(Nc1ccc(CC)cc1)=O)SC(N1CCc2ccccc2)=Nc2nccnc2C1=O

InChI

InChI=1S/C26H27N5O2S/c1-3-18-10-12-20(13-11-18)29-24(32)21(4-2)34-26-30-23-22(27-15-16-28-23)25(33)31(26)17-14-19-8-6-5-7-9-19/h5-13,15-16,21H,3-4,14,17H2,1-2H3,(H,29,32)/t21-/m0/s1

InChI Key

RMIZGUGQBJYIIW-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14844603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.108

Distribution Coefficient, logD

5.108

Water Solubility, LogSw

-4.95

Polar Surface Area

68.645

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

E196-0115 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E196-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E196-0115?
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What is the minimum amount of E196-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E196-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E196-0115
  • 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 E196-0115 available by request