6455-0031 Screening compound: 6-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(9-oxo-9H-fluoren-2-yl)hexanamide

6455-0031 Screening compound: 6-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(9-oxo-9H-fluoren-2-yl)hexanamide
6455-0031 Screening compound: 6-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(9-oxo-9H-fluoren-2-yl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6455-0031
6-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(9-oxo-9H-fluoren-2-yl)hexanamide

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

6455-0031

Molecular Formula

C28H26N2O4 (C28 H26 N2 O4)

Compound Name

6-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(9-oxo-9H-fluoren-2-yl)hexanamide

IUPAC name

6-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}-N-(9-oxo-9H-fluoren-2-yl)hexanamide

SMILES

O=C(CCCCCN(C(C1C2C3C=CC1C3)=O)C2=O)Nc(cc1)cc2c1-c(cccc1)c1C2=O

InChI

InChI=1S/C28H26N2O4/c31-23(29-18-11-12-20-19-6-3-4-7-21(19)26(32)22(20)15-18)8-2-1-5-13-30-27(33)24-16-9-10-17(14-16)25(24)28(30)34/h3-4,6-7,9-12,15-17,24-25H,1-2,5,8,13-14H2,(H,29,31)

InChI Key

FQSUNILYNVPNJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.463

Distribution Coefficient, logD

3.463

Water Solubility, LogSw

-3.97

Polar Surface Area

66.625

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

-4.11

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

35.70

6455-0031 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6455-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6455-0031?
Check Price and Availability of 6455-0031, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6455-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6455-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6455-0031
  • 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 6455-0031 available by request