8005-5892 Screening compound: 2-methoxy-4-[(1Z)-2-[(2-methylphenyl)carbamoyl]-2-(phenylformamido)eth-1-en-1-yl]phenyl acetate

8005-5892 Screening compound: 2-methoxy-4-[(1Z)-2-[(2-methylphenyl)carbamoyl]-2-(phenylformamido)eth-1-en-1-yl]phenyl acetate
8005-5892 Screening compound: 2-methoxy-4-[(1Z)-2-[(2-methylphenyl)carbamoyl]-2-(phenylformamido)eth-1-en-1-yl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5892
2-methoxy-4-[(1Z)-2-[(2-methylphenyl)carbamoyl]-2-(phenylformamido)eth-1-en-1-yl]phenyl acetate

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

8005-5892

Molecular Formula

C26H24N2O5 (C26 H24 N2 O5)

Compound Name

2-methoxy-4-[(1Z)-2-[(2-methylphenyl)carbamoyl]-2-(phenylformamido)eth-1-en-1-yl]phenyl acetate

IUPAC name

2-methoxy-4-[(1Z)-2-[(2-methylphenyl)carbamoyl]-2-(phenylformamido)eth-1-en-1-yl]phenyl acetate

SMILES

CC(Oc(ccc(/C=C(/C(Nc1c(C)cccc1)=O)\NC(c1ccccc1)=O)c1)c1OC)=O

InChI

InChI=1S/C26H24N2O5/c1-17-9-7-8-12-21(17)27-26(31)22(28-25(30)20-10-5-4-6-11-20)15-19-13-14-23(33-18(2)29)24(16-19)32-3/h4-16H,1-3H3,(H,27,31)(H,28,30)

InChI Key

GNVHJLROIPKZAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00560332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.675

Distribution Coefficient, logD

3.663

Water Solubility, LogSw

-4.06

Polar Surface Area

73.024

Acid Dissociation Constant (pKa)

8.95

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

8005-5892 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8005-5892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5892?
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What is the minimum amount of 8005-5892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5892
  • 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 8005-5892 available by request