Y070-0554 Screening compound: ethyl 2-({1-[(furan-2-yl)formamido]-2-oxo-2-phenylethyl}amino)-4-phenylthiophene-3-carboxylate

Y070-0554 Screening compound: ethyl 2-({1-[(furan-2-yl)formamido]-2-oxo-2-phenylethyl}amino)-4-phenylthiophene-3-carboxylate
Y070-0554 Screening compound: ethyl 2-({1-[(furan-2-yl)formamido]-2-oxo-2-phenylethyl}amino)-4-phenylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0554
ethyl 2-({1-[(furan-2-yl)formamido]-2-oxo-2-phenylethyl}amino)-4-phenylthiophene-3-carboxylate

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

Y070-0554

Molecular Formula

C26H22N2O5S (C26 H22 N2 O5 S)

Compound Name

ethyl 2-({1-[(furan-2-yl)formamido]-2-oxo-2-phenylethyl}amino)-4-phenylthiophene-3-carboxylate

IUPAC name

ethyl 2-({1-[(furan-2-yl)formamido]-2-oxo-2-phenylethyl}amino)-4-phenylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(c2ccccc2)=O)NC(c2ccco2)=O)scc1-c1ccccc1)=O

InChI

InChI=1S/C26H22N2O5S/c1-2-32-26(31)21-19(17-10-5-3-6-11-17)16-34-25(21)28-23(22(29)18-12-7-4-8-13-18)27-24(30)20-14-9-15-33-20/h3-16,23,28H,2H2,1H3,(H,27,30)/t23-/m0/s1

InChI Key

YXQQGYUKYFUIHB-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00790371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.406

Distribution Coefficient, logD

4.406

Water Solubility, LogSw

-4.31

Polar Surface Area

75.772

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

-7.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

Y070-0554 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y070-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0554?
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What is the minimum amount of Y070-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0554
  • 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 Y070-0554 available by request