Y070-1692 Screening compound: ethyl 4-[3-(4-nitrobenzamido)-1-benzofuran-2-amido]benzoate

Y070-1692 Screening compound: ethyl 4-[3-(4-nitrobenzamido)-1-benzofuran-2-amido]benzoate
Y070-1692 Screening compound: ethyl 4-[3-(4-nitrobenzamido)-1-benzofuran-2-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-1692
ethyl 4-[3-(4-nitrobenzamido)-1-benzofuran-2-amido]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

Y070-1692

Molecular Formula

C25H19N3O7 (C25 H19 N3 O7)

Compound Name

ethyl 4-[3-(4-nitrobenzamido)-1-benzofuran-2-amido]benzoate

IUPAC name

ethyl 4-[3-(4-nitrobenzamido)-1-benzofuran-2-amido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(oc1c2cccc1)c2NC(c(cc1)ccc1[N+]([O-])=O)=O)=O)=O

InChI

InChI=1S/C25H19N3O7/c1-2-34-25(31)16-7-11-17(12-8-16)26-24(30)22-21(19-5-3-4-6-20(19)35-22)27-23(29)15-9-13-18(14-10-15)28(32)33/h3-14H,2H2,1H3,(H,26,30)(H,27,29)

InChI Key

AYELLGUDZBBFBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08530854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.44

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.760

Distribution Coefficient, logD

4.732

Water Solubility, LogSw

-4.70

Polar Surface Area

107.686

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

Y070-1692 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 Y070-1692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-1692?
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What is the minimum amount of Y070-1692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-1692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-1692
  • 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 Y070-1692 available by request