8014-1382 Screening compound: 5,5-dimethyl-2,3-dioxo-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-1-yl cyanide

8014-1382 Screening compound: 5,5-dimethyl-2,3-dioxo-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-1-yl cyanide
8014-1382 Screening compound: 5,5-dimethyl-2,3-dioxo-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-1-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1382
5,5-dimethyl-2,3-dioxo-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-1-yl cyanide

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

8014-1382

Molecular Formula

C15H12N2O2 (C15 H12 N2 O2)

Compound Name

5,5-dimethyl-2,3-dioxo-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-1-yl cyanide

IUPAC name

55-dimethyl-23-dioxo-2H3H5H6H-pyrrolo[21-a]isoquinoline-1-carbonitrile

SMILES

CC(C)(Cc1c2cccc1)N(C(C1=O)=O)C2=C1C#N

InChI

InChI=1S/C15H12N2O2/c1-15(2)7-9-5-3-4-6-10(9)12-11(8-16)13(18)14(19)17(12)15/h3-6H,7H2,1-2H3

InChI Key

JYXUOZFZUZXYFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.891

Distribution Coefficient, logD

1.891

Water Solubility, LogSw

-2.57

Polar Surface Area

45.972

Acid Dissociation Constant (pKa)

22.89

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

References: we are preparing a list of scientific research reports with 8014-1382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1382?
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What is the minimum amount of 8014-1382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1382
  • 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 8014-1382 available by request