8005-5889 Screening compound: 4-[(1Z)-2-{[3-(hydroxymethyl)phenyl]carbamoyl}-2-(phenylformamido)eth-1-en-1-yl]-2-methoxyphenyl acetate

8005-5889 Screening compound: 4-[(1Z)-2-{[3-(hydroxymethyl)phenyl]carbamoyl}-2-(phenylformamido)eth-1-en-1-yl]-2-methoxyphenyl acetate
8005-5889 Screening compound: 4-[(1Z)-2-{[3-(hydroxymethyl)phenyl]carbamoyl}-2-(phenylformamido)eth-1-en-1-yl]-2-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5889
4-[(1Z)-2-{[3-(hydroxymethyl)phenyl]carbamoyl}-2-(phenylformamido)eth-1-en-1-yl]-2-methoxyphenyl 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

8005-5889

Molecular Formula

C26H24N2O6 (C26 H24 N2 O6)

Compound Name

4-[(1Z)-2-{[3-(hydroxymethyl)phenyl]carbamoyl}-2-(phenylformamido)eth-1-en-1-yl]-2-methoxyphenyl acetate

IUPAC name

4-[(1Z)-2-{[3-(hydroxymethyl)phenyl]carbamoyl}-2-(phenylformamido)eth-1-en-1-yl]-2-methoxyphenyl acetate

SMILES

CC(Oc(ccc(/C=C(/C(Nc1cc(CO)ccc1)=O)\NC(c1ccccc1)=O)c1)c1OC)=O

InChI

InChI=1S/C26H24N2O6/c1-17(30)34-23-12-11-18(15-24(23)33-2)14-22(28-25(31)20-8-4-3-5-9-20)26(32)27-21-10-6-7-19(13-21)16-29/h3-15,29H,16H2,1-2H3,(H,27,32)(H,28,31)

InChI Key

ZWQWUXJOSIEPAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00560342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.624

Distribution Coefficient, logD

2.564

Water Solubility, LogSw

-3.22

Polar Surface Area

90.837

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

8005-5889 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

References: we are preparing a list of scientific research reports with 8005-5889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5889?
Check Price and Availability of 8005-5889, 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 8005-5889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5889
  • 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 8005-5889 available by request