E196-0059 Screening compound: 2-({3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(4-methylphenyl)butanamide

E196-0059 Screening compound: 2-({3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(4-methylphenyl)butanamide
E196-0059 Screening compound: 2-({3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(4-methylphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E196-0059
2-({3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydropteridin-2-yl}sulfanyl)-N-(4-methylphenyl)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

E196-0059

Molecular Formula

C24H22ClN5O2S (C24 H22 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(Nc1ccc(C)cc1)=O)SC(N(Cc(cccc1)c1Cl)C1=O)=Nc2c1nccn2

InChI

InChI=1S/C24H22ClN5O2S/c1-3-19(22(31)28-17-10-8-15(2)9-11-17)33-24-29-21-20(26-12-13-27-21)23(32)30(24)14-16-6-4-5-7-18(16)25/h4-13,19H,3,14H2,1-2H3,(H,28,31)/t19-/m0/s1

InChI Key

FMCLMJKDSOXWLI-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14844548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.99

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

4.985

Distribution Coefficient, logD

4.985

Water Solubility, LogSw

-4.90

Polar Surface Area

68.666

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

E196-0059 in Drug Discovery

Included in Screening Libraries

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 E196-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E196-0059?
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What is the minimum amount of E196-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E196-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E196-0059
  • 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 E196-0059 available by request