E196-0114 Screening compound: N-cyclohexyl-2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydropteridin-2-yl]sulfanyl}butanamide

E196-0114 Screening compound: N-cyclohexyl-2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydropteridin-2-yl]sulfanyl}butanamide
E196-0114 Screening compound: N-cyclohexyl-2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydropteridin-2-yl]sulfanyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E196-0114
N-cyclohexyl-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

E196-0114

Molecular Formula

C24H29N5O2S (C24 H29 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(NC1CCCCC1)=O)SC(N1CCc2ccccc2)=Nc2nccnc2C1=O

InChI

InChI=1S/C24H29N5O2S/c1-2-19(22(30)27-18-11-7-4-8-12-18)32-24-28-21-20(25-14-15-26-21)23(31)29(24)16-13-17-9-5-3-6-10-17/h3,5-6,9-10,14-15,18-19H,2,4,7-8,11-13,16H2,1H3,(H,27,30)/t19-/m0/s1

InChI Key

CYJMWCVNGUPTKA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14844602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.292

Distribution Coefficient, logD

4.292

Water Solubility, LogSw

-4.11

Polar Surface Area

69.692

Acid Dissociation Constant (pKa)

15.53

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

E196-0114 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E196-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E196-0114?
Check Price and Availability of E196-0114, 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 E196-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E196-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E196-0114
  • 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 E196-0114 available by request