E196-0429 Screening compound: N-(2-fluorophenyl)-2-({4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydropteridin-2-yl}sulfanyl)acetamide

E196-0429 Screening compound: N-(2-fluorophenyl)-2-({4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydropteridin-2-yl}sulfanyl)acetamide
E196-0429 Screening compound: N-(2-fluorophenyl)-2-({4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydropteridin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E196-0429
N-(2-fluorophenyl)-2-({4-oxo-3-[(thiophen-2-yl)methyl]-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

E196-0429

Molecular Formula

C19H14FN5O2S2 (C19 H14 FN5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSC(N(Cc1cccs1)C1=O)=Nc2c1nccn2)Nc(cccc1)c1F

InChI

InChI=1S/C19H14FN5O2S2/c20-13-5-1-2-6-14(13)23-15(26)11-29-19-24-17-16(21-7-8-22-17)18(27)25(19)10-12-4-3-9-28-12/h1-9H,10-11H2,(H,23,26)

InChI Key

FOLVBQULDGLBAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.504

Distribution Coefficient, logD

2.504

Water Solubility, LogSw

-2.75

Polar Surface Area

68.774

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

E196-0429 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 E196-0429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E196-0429?
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What is the minimum amount of E196-0429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E196-0429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E196-0429
  • 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 E196-0429 available by request