E196-0145 Screening compound: 2-({3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(3,4-dimethoxyphenyl)acetamide

E196-0145 Screening compound: 2-({3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(3,4-dimethoxyphenyl)acetamide
E196-0145 Screening compound: 2-({3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(3,4-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E196-0145
2-({3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(3,4-dimethoxyphenyl)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

E196-0145

Molecular Formula

C23H20ClN5O4S (C23 H20 ClN5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(NC(CSC(N(Cc(cccc1)c1Cl)C1=O)=Nc2c1nccn2)=O)c1)c1OC

InChI

InChI=1S/C23H20ClN5O4S/c1-32-17-8-7-15(11-18(17)33-2)27-19(30)13-34-23-28-21-20(25-9-10-26-21)22(31)29(23)12-14-5-3-4-6-16(14)24/h3-11H,12-13H2,1-2H3,(H,27,30)

InChI Key

RYIITHJVUCVVEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.96

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

3.086

Distribution Coefficient, logD

3.086

Water Solubility, LogSw

-3.36

Polar Surface Area

83.714

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E196-0145 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 E196-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E196-0145?
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What is the minimum amount of E196-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E196-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E196-0145
  • 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 E196-0145 available by request