C202-3411 Screening compound: 1-(2,4-dimethoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile

C202-3411 Screening compound: 1-(2,4-dimethoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
C202-3411 Screening compound: 1-(2,4-dimethoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3411
1-(2,4-dimethoxyphenyl)-7,7-dimethyl-2,5-dioxo-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

C202-3411

Molecular Formula

C20H20N2O4 (C20 H20 N2 O4)

Compound Name

1-(2,4-dimethoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

1-(24-dimethoxyphenyl)-77-dimethyl-25-dioxo-125678-hexahydroquinoline-3-carbonitrile

SMILES

CC(C)(C1)CC(N(c(ccc(OC)c2)c2OC)C(C(C#N)=C2)=O)=C2C1=O

InChI

InChI=1S/C20H20N2O4/c1-20(2)9-16-14(17(23)10-20)7-12(11-21)19(24)22(16)15-6-5-13(25-3)8-18(15)26-4/h5-8H,9-10H2,1-4H3

InChI Key

FHFHRLMHSBSGRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14731638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.352

Distribution Coefficient, logD

2.352

Water Solubility, LogSw

-2.64

Polar Surface Area

60.509

Acid Dissociation Constant (pKa)

24.31

Base Dissociation Constant (pKb)

-5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C202-3411 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C202-3411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3411?
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What is the minimum amount of C202-3411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3411
  • 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 C202-3411 available by request