D027-0062 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-3-phenyl-N~1~-(6-quinolyl)propanamide

D027-0062 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-3-phenyl-N~1~-(6-quinolyl)propanamide
D027-0062 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-3-phenyl-N~1~-(6-quinolyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D027-0062
2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-3-phenyl-N~1~-(6-quinolyl)propanamide

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

D027-0062

Molecular Formula

C27H23N3O3 (C27 H23 N3 O3)

Compound Name

2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-3-phenyl-N~1~-(6-quinolyl)propanamide

IUPAC name

2-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}-3-phenyl-N-(quinolin-6-yl)propanamide

SMILES

O=C(C(Cc1ccccc1)N(C(C1C2C3C=CC1C3)=O)C2=O)Nc1cc2cccnc2cc1

InChI

InChI=1S/C27H23N3O3/c31-25(29-20-10-11-21-17(15-20)7-4-12-28-21)22(13-16-5-2-1-3-6-16)30-26(32)23-18-8-9-19(14-18)24(23)27(30)33/h1-12,15,18-19,22-24H,13-14H2,(H,29,31)

InChI Key

CDSKVFQQEZQMHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07469976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.209

Distribution Coefficient, logD

3.209

Water Solubility, LogSw

-3.16

Polar Surface Area

61.115

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

25.90

D027-0062 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D027-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D027-0062?
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What is the minimum amount of D027-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D027-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D027-0062
  • 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 D027-0062 available by request