0663-0158 Screening compound: ethyl 4-{5-[(1E)-2-cyano-2-[(4-phenoxyphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate

0663-0158 Screening compound: ethyl 4-{5-[(1E)-2-cyano-2-[(4-phenoxyphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate
0663-0158 Screening compound: ethyl 4-{5-[(1E)-2-cyano-2-[(4-phenoxyphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0663-0158
ethyl 4-{5-[(1E)-2-cyano-2-[(4-phenoxyphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate

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

0663-0158

Molecular Formula

C29H22N2O5 (C29 H22 N2 O5)

Compound Name

ethyl 4-{5-[(1E)-2-cyano-2-[(4-phenoxyphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate

IUPAC name

ethyl 4-{5-[(1E)-2-cyano-2-[(4-phenoxyphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate

SMILES

CCOC(c(cc1)ccc1-c1ccc(/C=C(/C(Nc(cc2)ccc2Oc2ccccc2)=O)\C#N)o1)=O

InChI

InChI=1S/C29H22N2O5/c1-2-34-29(33)21-10-8-20(9-11-21)27-17-16-26(36-27)18-22(19-30)28(32)31-23-12-14-25(15-13-23)35-24-6-4-3-5-7-24/h3-18H,2H2,1H3,(H,31,32)

InChI Key

KPIJSRIIKDIQIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00846053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.029

Distribution Coefficient, logD

7.027

Water Solubility, LogSw

-5.87

Polar Surface Area

75.457

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

0663-0158 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

MCL1 Targeted Library (12200 compounds)

Covalent Inhibitors Library (7986 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
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0663-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0663-0158?
Check Price and Availability of 0663-0158, 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 0663-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0663-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0663-0158
  • 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 0663-0158 available by request