8005-5305 Screening compound: 2-methyl-N-{3-[(2E)-3-{4-[(1E)-3-[3-(2-methylprop-2-enamido)phenyl]-3-oxoprop-1-en-1-yl]phenyl}prop-2-enoyl]phenyl}prop-2-enamide

8005-5305 Screening compound: 2-methyl-N-{3-[(2E)-3-{4-[(1E)-3-[3-(2-methylprop-2-enamido)phenyl]-3-oxoprop-1-en-1-yl]phenyl}prop-2-enoyl]phenyl}prop-2-enamide
8005-5305 Screening compound: 2-methyl-N-{3-[(2E)-3-{4-[(1E)-3-[3-(2-methylprop-2-enamido)phenyl]-3-oxoprop-1-en-1-yl]phenyl}prop-2-enoyl]phenyl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5305
2-methyl-N-{3-[(2E)-3-{4-[(1E)-3-[3-(2-methylprop-2-enamido)phenyl]-3-oxoprop-1-en-1-yl]phenyl}prop-2-enoyl]phenyl}prop-2-enamide

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

8005-5305

Molecular Formula

C32H28N2O4 (C32 H28 N2 O4)

Compound Name

2-methyl-N-{3-[(2E)-3-{4-[(1E)-3-[3-(2-methylprop-2-enamido)phenyl]-3-oxoprop-1-en-1-yl]phenyl}prop-2-enoyl]phenyl}prop-2-enamide

IUPAC name

2-methyl-N-{3-[(2E)-3-{4-[(1E)-3-[3-(2-methylprop-2-enamido)phenyl]-3-oxoprop-1-en-1-yl]phenyl}prop-2-enoyl]phenyl}prop-2-enamide

SMILES

CC(C(Nc1cccc(C(/C=C/c2ccc(/C=C/C(c3cccc(NC(C(C)=C)=O)c3)=O)cc2)=O)c1)=O)=C

InChI

InChI=1S/C32H28N2O4/c1-21(2)31(37)33-27-9-5-7-25(19-27)29(35)17-15-23-11-13-24(14-12-23)16-18-30(36)26-8-6-10-28(20-26)34-32(38)22(3)4/h5-20H,1,3H2,2,4H3,(H,33,37)(H,34,38)

InChI Key

FZOIKURNVXKGTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00306054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.712

Distribution Coefficient, logD

6.710

Water Solubility, LogSw

-5.68

Polar Surface Area

72.915

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

8005-5305 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8005-5305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5305?
Check Price and Availability of 8005-5305, 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 8005-5305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5305
  • 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 8005-5305 available by request