E140-0559 Screening compound: 2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(4-fluorophenyl)acetamide

E140-0559 Screening compound: 2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
E140-0559 Screening compound: 2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E140-0559
2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(4-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

E140-0559

Molecular Formula

C23H21FN4O4S (C23 H21 FN4 O4 S)

Compound Name

2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(4-fluorophenyl)acetamide

IUPAC name

2-({6-[(2H-13-benzodioxol-5-yl)methyl]-4-oxo-3H4H5H6H7H8H-pyrido[43-d]pyrimidin-2-yl}sulfanyl)-N-(4-fluorophenyl)acetamide

SMILES

O=C(CSC(N1)=NC(CCN(Cc(cc2)cc3c2OCO3)C2)=C2C1=O)Nc(cc1)ccc1F

InChI

InChI=1S/C23H21FN4O4S/c24-15-2-4-16(5-3-15)25-21(29)12-33-23-26-18-7-8-28(11-17(18)22(30)27-23)10-14-1-6-19-20(9-14)32-13-31-19/h1-6,9H,7-8,10-13H2,(H,25,29)(H,26,27,30)

InChI Key

IOOKKWBTJBSSLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.433

Distribution Coefficient, logD

1.884

Water Solubility, LogSw

-2.94

Polar Surface Area

78.211

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E140-0559 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E140-0559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E140-0559?
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What is the minimum amount of E140-0559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E140-0559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E140-0559
  • 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 E140-0559 available by request