3338-1147 Screening compound: 2-{[2-(diethylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile

3338-1147 Screening compound: 2-{[2-(diethylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile
3338-1147 Screening compound: 2-{[2-(diethylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3338-1147
2-{[2-(diethylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile

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

3338-1147

Molecular Formula

C17H17N5O (C17 H17 N5 O)

Compound Name

2-{[2-(diethylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile

IUPAC name

2-{[2-(diethylamino)-9-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl]methylidene}propanedinitrile

SMILES

CCN(CC)C(N=C1N2C=CC=C1C)=C(C=C(C#N)C#N)C2=O

InChI

InChI=1S/C17H17N5O/c1-4-21(5-2)16-14(9-13(10-18)11-19)17(23)22-8-6-7-12(3)15(22)20-16/h6-9H,4-5H2,1-3H3

InChI Key

VBQJXWDBYHPTLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.818

Distribution Coefficient, logD

1.818

Water Solubility, LogSw

-1.51

Polar Surface Area

61.449

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

3338-1147 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3338-1147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3338-1147?
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What is the minimum amount of 3338-1147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3338-1147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3338-1147
  • 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 3338-1147 available by request