8005-9018 Screening compound: N-{4-[(4-acetamido-3,5-dimethylphenyl)(furan-2-yl)methyl]-2,6-dimethylphenyl}acetamide

8005-9018 Screening compound: N-{4-[(4-acetamido-3,5-dimethylphenyl)(furan-2-yl)methyl]-2,6-dimethylphenyl}acetamide
8005-9018 Screening compound: N-{4-[(4-acetamido-3,5-dimethylphenyl)(furan-2-yl)methyl]-2,6-dimethylphenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9018
N-{4-[(4-acetamido-3,5-dimethylphenyl)(furan-2-yl)methyl]-2,6-dimethylphenyl}acetamide

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

8005-9018

Molecular Formula

C25H28N2O3 (C25 H28 N2 O3)

Compound Name

N-{4-[(4-acetamido-3,5-dimethylphenyl)(furan-2-yl)methyl]-2,6-dimethylphenyl}acetamide

IUPAC name

N-{4-[(4-acetamido-35-dimethylphenyl)(furan-2-yl)methyl]-26-dimethylphenyl}acetamide

SMILES

CC(Nc1c(C)cc(C(c2ccco2)c(cc2C)cc(C)c2NC(C)=O)cc1C)=O

InChI

InChI=1S/C25H28N2O3/c1-14-10-20(11-15(2)24(14)26-18(5)28)23(22-8-7-9-30-22)21-12-16(3)25(17(4)13-21)27-19(6)29/h7-13,23H,1-6H3,(H,26,28)(H,27,29)

InChI Key

ZHKKBKWNRQQIRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00822767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.369

Distribution Coefficient, logD

2.369

Water Solubility, LogSw

-2.74

Polar Surface Area

52.006

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

8005-9018 in Drug Discovery

Included in Screening Libraries

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

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 8005-9018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9018?
Check Price and Availability of 8005-9018, 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 8005-9018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9018
  • 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 8005-9018 available by request