E196-0289 Screening compound: 2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(2-fluorophenyl)acetamide

E196-0289 Screening compound: 2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
E196-0289 Screening compound: 2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(2-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E196-0289
2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(2-fluorophenyl)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

E196-0289

Molecular Formula

C24H22FN5O4S (C24 H22 FN5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CCN1C(SCC(Nc(cccc2)c2F)=O)=Nc2nccnc2C1=O)c1)c1OC

InChI

InChI=1S/C24H22FN5O4S/c1-33-18-8-7-15(13-19(18)34-2)9-12-30-23(32)21-22(27-11-10-26-21)29-24(30)35-14-20(31)28-17-6-4-3-5-16(17)25/h3-8,10-11,13H,9,12,14H2,1-2H3,(H,28,31)

InChI Key

OLIYWKXNZJWOPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.464

Distribution Coefficient, logD

2.464

Water Solubility, LogSw

-2.93

Polar Surface Area

82.994

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

E196-0289 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 E196-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E196-0289?
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What is the minimum amount of E196-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E196-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E196-0289
  • 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 E196-0289 available by request