8014-1874 Screening compound: 2-[4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]malononitrile

8014-1874 Screening compound: 2-[4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]malononitrile
8014-1874 Screening compound: 2-[4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]malononitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1874
2-[4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]malononitrile

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

8014-1874

Molecular Formula

C17H13N3O (C17 H13 N3 O)

Compound Name

2-[4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-yliden]malononitrile

IUPAC name

2-{91111-trimethyl-2-oxo-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)9-tetraen-3-ylidene}propanedinitrile

SMILES

CC(C)(C=C(C)c1cccc(C2=C(C#N)C#N)c11)N1C2=O

InChI

InChI=1S/C17H13N3O/c1-10-7-17(2,3)20-15-12(10)5-4-6-13(15)14(16(20)21)11(8-18)9-19/h4-7H,1-3H3

InChI Key

KFAWAUJOVWVEDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03615356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.657

Distribution Coefficient, logD

2.657

Water Solubility, LogSw

-3.19

Polar Surface Area

50.805

Acid Dissociation Constant (pKa)

30.05

Base Dissociation Constant (pKb)

-5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

8014-1874 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 8014-1874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1874?
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What is the minimum amount of 8014-1874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1874
  • 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 8014-1874 available by request