C202-3412 Screening compound: 7,7-dimethyl-2,5-dioxo-1-[4-(propan-2-yl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile

C202-3412 Screening compound: 7,7-dimethyl-2,5-dioxo-1-[4-(propan-2-yl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
C202-3412 Screening compound: 7,7-dimethyl-2,5-dioxo-1-[4-(propan-2-yl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3412
7,7-dimethyl-2,5-dioxo-1-[4-(propan-2-yl)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

C202-3412

Molecular Formula

C21H22N2O2 (C21 H22 N2 O2)

Compound Name

7,7-dimethyl-2,5-dioxo-1-[4-(propan-2-yl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

77-dimethyl-25-dioxo-1-[4-(propan-2-yl)phenyl]-125678-hexahydroquinoline-3-carbonitrile

SMILES

CC(C)c(cc1)ccc1N(C(CC(C)(C)C1)=C(C=C2C#N)C1=O)C2=O

InChI

InChI=1S/C21H22N2O2/c1-13(2)14-5-7-16(8-6-14)23-18-10-21(3,4)11-19(24)17(18)9-15(12-22)20(23)25/h5-9,13H,10-11H2,1-4H3

InChI Key

CDNFZORUDPMHHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14731639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.605

Distribution Coefficient, logD

3.605

Water Solubility, LogSw

-3.66

Polar Surface Area

45.636

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with C202-3412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3412?
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What is the minimum amount of C202-3412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3412
  • 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 C202-3412 available by request