C202-3358 Screening compound: 7,7-dimethyl-2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile

C202-3358 Screening compound: 7,7-dimethyl-2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
C202-3358 Screening compound: 7,7-dimethyl-2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3358
7,7-dimethyl-2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile

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

C202-3358

Molecular Formula

C18H16N2O2 (C18 H16 N2 O2)

Compound Name

7,7-dimethyl-2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

77-dimethyl-25-dioxo-1-phenyl-125678-hexahydroquinoline-3-carbonitrile

SMILES

CC(C)(C1)CC(N(c2ccccc2)C(C(C#N)=C2)=O)=C2C1=O

InChI

InChI=1S/C18H16N2O2/c1-18(2)9-15-14(16(21)10-18)8-12(11-19)17(22)20(15)13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3

InChI Key

ISTABWPBXDEYFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.145

Distribution Coefficient, logD

2.145

Water Solubility, LogSw

-2.27

Polar Surface Area

45.636

Acid Dissociation Constant (pKa)

24.31

Base Dissociation Constant (pKb)

-5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

C202-3358 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 C202-3358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3358?
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What is the minimum amount of C202-3358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3358
  • 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 C202-3358 available by request