E196-0124 Screening compound: N-(4-chloro-2-fluorophenyl)-2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydropteridin-2-yl]sulfanyl}acetamide

E196-0124 Screening compound: N-(4-chloro-2-fluorophenyl)-2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydropteridin-2-yl]sulfanyl}acetamide
E196-0124 Screening compound: N-(4-chloro-2-fluorophenyl)-2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydropteridin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E196-0124
N-(4-chloro-2-fluorophenyl)-2-{[4-oxo-3-(2-phenylethyl)-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

E196-0124

Molecular Formula

C22H17ClFN5O2S (C22 H17 ClFN5 O2 S)

Compound Name

N-(4-chloro-2-fluorophenyl)-2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydropteridin-2-yl]sulfanyl}acetamide

IUPAC name

N-(4-chloro-2-fluorophenyl)-2-{[4-oxo-3-(2-phenylethyl)-34-dihydropteridin-2-yl]sulfanyl}acetamide

SMILES

O=C(CSC(N1CCc2ccccc2)=Nc2nccnc2C1=O)Nc(ccc(Cl)c1)c1F

InChI

InChI=1S/C22H17ClFN5O2S/c23-15-6-7-17(16(24)12-15)27-18(30)13-32-22-28-20-19(25-9-10-26-20)21(31)29(22)11-8-14-4-2-1-3-5-14/h1-7,9-10,12H,8,11,13H2,(H,27,30)

InChI Key

YLMXVSNFIFRASG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.788

Distribution Coefficient, logD

3.783

Water Solubility, LogSw

-4.29

Polar Surface Area

67.734

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

E196-0124 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E196-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E196-0124?
Check Price and Availability of E196-0124, 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 E196-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E196-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E196-0124
  • 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 E196-0124 available by request