8008-1686 Screening compound: 1-(2,2-dimethylpropanoyl)-2-(3-methylphenyl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile

8008-1686 Screening compound: 1-(2,2-dimethylpropanoyl)-2-(3-methylphenyl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
8008-1686 Screening compound: 1-(2,2-dimethylpropanoyl)-2-(3-methylphenyl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-1686
1-(2,2-dimethylpropanoyl)-2-(3-methylphenyl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile

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

8008-1686

Molecular Formula

C26H25N3O (C26 H25 N3 O)

Compound Name

1-(2,2-dimethylpropanoyl)-2-(3-methylphenyl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile

IUPAC name

(1S2S3aR)-1-(22-dimethylpropanoyl)-2-(3-methylphenyl)-1H2H3H3aH-pyrrolo[12-a]quinoline-33-dicarbonitrile

SMILES

CC(C)(C)C([C@H]([C@H]1c2cc(C)ccc2)N2c(cccc3)c3C=C[C@@H]2C1(C#N)C#N)=O

InChI

InChI=1S/C26H25N3O/c1-17-8-7-10-19(14-17)22-23(24(30)25(2,3)4)29-20-11-6-5-9-18(20)12-13-21(29)26(22,15-27)16-28/h5-14,21-23H,1-4H3/t21-,22+,23-/m0/s1

InChI Key

VDKGDFVHPHDGSE-ZRBLBEILSA-N

MDL Number (MFCD)

MFCD01114118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.382

Distribution Coefficient, logD

5.347

Water Solubility, LogSw

-5.45

Polar Surface Area

50.083

Acid Dissociation Constant (pKa)

8.47

Base Dissociation Constant (pKb)

-8.93

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

34.60

8008-1686 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 8008-1686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1686?
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What is the minimum amount of 8008-1686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1686
  • 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 8008-1686 available by request