E196-0071 Screening compound: 2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3-[(4-methoxyphenyl)methyl]-3,4-dihydropteridin-4-one

E196-0071 Screening compound: 2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3-[(4-methoxyphenyl)methyl]-3,4-dihydropteridin-4-one
E196-0071 Screening compound: 2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3-[(4-methoxyphenyl)methyl]-3,4-dihydropteridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E196-0071
2-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3-[(4-methoxyphenyl)methyl]-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

E196-0071

Molecular Formula

C23H17ClN6O3S (C23 H17 ClN6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CN2C(SCC(N=C(C=C3)N4C=C3Cl)=CC4=O)=Nc3nccnc3C2=O)cc1

InChI

InChI=1S/C23H17ClN6O3S/c1-33-17-5-2-14(3-6-17)11-30-22(32)20-21(26-9-8-25-20)28-23(30)34-13-16-10-19(31)29-12-15(24)4-7-18(29)27-16/h2-10,12H,11,13H2,1H3

InChI Key

NLAIPODMLBYZGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.95

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.341

Distribution Coefficient, logD

2.341

Water Solubility, LogSw

-2.92

Polar Surface Area

79.353

Acid Dissociation Constant (pKa)

29.79

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

E196-0071 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E196-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E196-0071?
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What is the minimum amount of E196-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E196-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E196-0071
  • 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 E196-0071 available by request