0934-0649 Screening compound: ethyl 4-{5-[(1Z)-2-cyano-2-[(2-hydroxyethyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate

0934-0649 Screening compound: ethyl 4-{5-[(1Z)-2-cyano-2-[(2-hydroxyethyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate
0934-0649 Screening compound: ethyl 4-{5-[(1Z)-2-cyano-2-[(2-hydroxyethyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0934-0649
ethyl 4-{5-[(1Z)-2-cyano-2-[(2-hydroxyethyl)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

0934-0649

Molecular Formula

C19H18N2O5 (C19 H18 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H18N2O5/c1-2-25-19(24)14-5-3-13(4-6-14)17-8-7-16(26-17)11-15(12-20)18(23)21-9-10-22/h3-8,11,22H,2,9-10H2,1H3,(H,21,23)

InChI Key

HQVPOYQSAVFNRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.36

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

2.695

Distribution Coefficient, logD

2.695

Water Solubility, LogSw

-2.77

Polar Surface Area

86.800

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

0934-0649 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0934-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0934-0649?
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What is the minimum amount of 0934-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0934-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0934-0649
  • 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 0934-0649 available by request