4856-0038 Screening compound: N-(15-DIMETHYL-3-OXO-2-PHENYL-23-DIHYDRO-1H-PYRAZOL-4-YL)-4-{35-DIOXO-4-AZATRICYCLO[5.2.1.0{26}]DEC-8-EN-4-YL}BENZAMIDE

4856-0038 Screening compound: N-(15-DIMETHYL-3-OXO-2-PHENYL-23-DIHYDRO-1H-PYRAZOL-4-YL)-4-{35-DIOXO-4-AZATRICYCLO[5.2.1.0{26}]DEC-8-EN-4-YL}BENZAMIDE
4856-0038 Screening compound: N-(15-DIMETHYL-3-OXO-2-PHENYL-23-DIHYDRO-1H-PYRAZOL-4-YL)-4-{35-DIOXO-4-AZATRICYCLO[5.2.1.0{26}]DEC-8-EN-4-YL}BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4856-0038
N-(15-DIMETHYL-3-OXO-2-PHENYL-23-DIHYDRO-1H-PYRAZOL-4-YL)-4-{35-DIOXO-4-AZATRICYCLO[5.2.1.0{26}]DEC-8-EN-4-YL}BENZAMIDE

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

4856-0038

Molecular Formula

C27H24N4O4 (C27 H24 N4 O4)

Compound Name

N-(15-DIMETHYL-3-OXO-2-PHENYL-23-DIHYDRO-1H-PYRAZOL-4-YL)-4-{35-DIOXO-4-AZATRICYCLO[5.2.1.0{26}]DEC-8-EN-4-YL}BENZAMIDE

IUPAC name

n/a

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NC(c(cc1)ccc1N(C(C1C2C3C=CC1C3)=O)C2=O)=O

InChI

InChI=1S/C27H24N4O4/c1-15-23(27(35)31(29(15)2)20-6-4-3-5-7-20)28-24(32)16-10-12-19(13-11-16)30-25(33)21-17-8-9-18(14-17)22(21)26(30)34/h3-13,17-18,21-22H,14H2,1-2H3,(H,28,32)

InChI Key

NVCFGCADPLEBQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13818211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.010

Distribution Coefficient, logD

0.216

Water Solubility, LogSw

-1.71

Polar Surface Area

73.197

Acid Dissociation Constant (pKa)

6.68

Base Dissociation Constant (pKb)

-6.37

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

25.90

4856-0038 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4856-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4856-0038?
Check Price and Availability of 4856-0038, 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 4856-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4856-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4856-0038
  • 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 4856-0038 available by request