8017-2184 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8017-2184 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8017-2184 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2184
4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-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

8017-2184

Molecular Formula

C28H24N4O3 (C28 H24 N4 O3)

Compound Name

4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

4-(2H-13-benzodioxol-5-yl)-77-dimethyl-5-oxo-1-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-145678-hexahydroquinoline-3-carbonitrile

SMILES

CC(C)(C1)CC(N(c2cnccc2)C(n2cccc2)=C(C2c(cc3)cc4c3OCO4)C#N)=C2C1=O

InChI

InChI=1S/C28H24N4O3/c1-28(2)13-21-26(22(33)14-28)25(18-7-8-23-24(12-18)35-17-34-23)20(15-29)27(31-10-3-4-11-31)32(21)19-6-5-9-30-16-19/h3-12,16,25H,13-14,17H2,1-2H3/t25-/m1/s1

InChI Key

YYRHGGHNJQPUAS-RUZDIDTESA-N

MDL Number (MFCD)

MFCD06015033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.249

Distribution Coefficient, logD

4.249

Water Solubility, LogSw

-4.17

Polar Surface Area

63.187

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8017-2184 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-2184 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8017-2184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2184
  • 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 8017-2184 available by request