E196-0002 Screening compound: 3-benzyl-2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3,4-dihydropteridin-4-one

E196-0002 Screening compound: 3-benzyl-2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3,4-dihydropteridin-4-one
E196-0002 Screening compound: 3-benzyl-2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3,4-dihydropteridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E196-0002
3-benzyl-2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3,4-dihydropteridin-4-one

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

E196-0002

Molecular Formula

C22H15ClN6O2S (C22 H15 ClN6 O2 S)

Compound Name

3-benzyl-2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3,4-dihydropteridin-4-one

IUPAC name

3-benzyl-2-[({7-chloro-4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)sulfanyl]-34-dihydropteridin-4-one

SMILES

O=C1N(C=C(C=C2)Cl)C2=NC(CSC(N2Cc3ccccc3)=Nc3nccnc3C2=O)=C1

InChI

InChI=1S/C22H15ClN6O2S/c23-15-6-7-17-26-16(10-18(30)28(17)12-15)13-32-22-27-20-19(24-8-9-25-20)21(31)29(22)11-14-4-2-1-3-5-14/h1-10,12H,11,13H2

InChI Key

PMROFBSQYKZZSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.359

Distribution Coefficient, logD

2.359

Water Solubility, LogSw

-2.86

Polar Surface Area

71.809

Acid Dissociation Constant (pKa)

29.79

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

E196-0002 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E196-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E196-0002?
Check Price and Availability of E196-0002, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E196-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E196-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E196-0002
  • 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 E196-0002 available by request