E196-0396 Screening compound: N-(3,5-dimethoxyphenyl)-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)acetamide

E196-0396 Screening compound: N-(3,5-dimethoxyphenyl)-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)acetamide
E196-0396 Screening compound: N-(3,5-dimethoxyphenyl)-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E196-0396
N-(3,5-dimethoxyphenyl)-2-({3-[(4-fluorophenyl)methyl]-4-oxo-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

E196-0396

Molecular Formula

C23H20FN5O4S (C23 H20 FN5 O4 S)

Compound Name

N-(3,5-dimethoxyphenyl)-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)acetamide

IUPAC name

N-(35-dimethoxyphenyl)-2-({3-[(4-fluorophenyl)methyl]-4-oxo-34-dihydropteridin-2-yl}sulfanyl)acetamide

SMILES

COc1cc(NC(CSC(N2Cc(cc3)ccc3F)=Nc3nccnc3C2=O)=O)cc(OC)c1

InChI

InChI=1S/C23H20FN5O4S/c1-32-17-9-16(10-18(11-17)33-2)27-19(30)13-34-23-28-21-20(25-7-8-26-21)22(31)29(23)12-14-3-5-15(24)6-4-14/h3-11H,12-13H2,1-2H3,(H,27,30)

InChI Key

IWYPSYOZVZTSMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.235

Distribution Coefficient, logD

3.235

Water Solubility, LogSw

-3.49

Polar Surface Area

83.541

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E196-0396 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E196-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E196-0396?
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What is the minimum amount of E196-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E196-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E196-0396
  • 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 E196-0396 available by request