8017-1946 Screening compound: 1-(3-chlorophenyl)-N~3~-[3-(hexyloxy)phenyl]-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide

8017-1946 Screening compound: 1-(3-chlorophenyl)-N~3~-[3-(hexyloxy)phenyl]-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide
8017-1946 Screening compound: 1-(3-chlorophenyl)-N~3~-[3-(hexyloxy)phenyl]-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1946
1-(3-chlorophenyl)-N~3~-[3-(hexyloxy)phenyl]-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide

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

8017-1946

Molecular Formula

C30H33ClN2O4 (C30 H33 ClN2 O4)

Compound Name

1-(3-chlorophenyl)-N~3~-[3-(hexyloxy)phenyl]-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide

IUPAC name

1-(3-chlorophenyl)-N-[3-(hexyloxy)phenyl]-77-dimethyl-25-dioxo-125678-hexahydroquinoline-3-carboxamide

SMILES

CCCCCCOc1cccc(NC(C2=CC(C(CC(C)(C)C3)=O)=C3N(c3cccc(Cl)c3)C2=O)=O)c1

InChI

InChI=1S/C30H33ClN2O4/c1-4-5-6-7-14-37-23-13-9-11-21(16-23)32-28(35)25-17-24-26(18-30(2,3)19-27(24)34)33(29(25)36)22-12-8-10-20(31)15-22/h8-13,15-17H,4-7,14,18-19H2,1-3H3,(H,32,35)

InChI Key

FJHVAXIOIUZKHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.06

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.716

Distribution Coefficient, logD

6.664

Water Solubility, LogSw

-6.16

Polar Surface Area

59.089

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.67

8017-1946 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8017-1946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1946?
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What is the minimum amount of 8017-1946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1946
  • 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 8017-1946 available by request