6455-0040 Screening compound: N~1~-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)hexanamide

6455-0040 Screening compound: N~1~-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)hexanamide
6455-0040 Screening compound: N~1~-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6455-0040
N~1~-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-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

6455-0040

Molecular Formula

C26H30N4O4 (C26 H30 N4 O4)

Compound Name

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

IUPAC name

N-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-6-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}hexanamide

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NC(CCCCCN(C(C1C2C3C=CC1C3)=O)C2=O)=O

InChI

InChI=1S/C26H30N4O4/c1-16-23(26(34)30(28(16)2)19-9-5-3-6-10-19)27-20(31)11-7-4-8-14-29-24(32)21-17-12-13-18(15-17)22(21)25(29)33/h3,5-6,9-10,12-13,17-18,21-22H,4,7-8,11,14-15H2,1-2H3,(H,27,31)

InChI Key

AJMKUSYEQFTOGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.791

Distribution Coefficient, logD

0.726

Water Solubility, LogSw

-1.53

Polar Surface Area

73.845

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

-6.47

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

46.20

6455-0040 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 6455-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6455-0040?
Check Price and Availability of 6455-0040, 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 6455-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6455-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6455-0040
  • 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 6455-0040 available by request