C284-0089 Screening compound: ethyl 4-[2-(2-{[(furan-2-yl)methyl]amino}acetamido)-5-nitrobenzamido]benzoate

C284-0089 Screening compound: ethyl 4-[2-(2-{[(furan-2-yl)methyl]amino}acetamido)-5-nitrobenzamido]benzoate
C284-0089 Screening compound: ethyl 4-[2-(2-{[(furan-2-yl)methyl]amino}acetamido)-5-nitrobenzamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C284-0089
ethyl 4-[2-(2-{[(furan-2-yl)methyl]amino}acetamido)-5-nitrobenzamido]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

C284-0089

Molecular Formula

C23H22N4O7 (C23 H22 N4 O7)

Compound Name

ethyl 4-[2-(2-{[(furan-2-yl)methyl]amino}acetamido)-5-nitrobenzamido]benzoate

IUPAC name

ethyl 4-[2-(2-{[(furan-2-yl)methyl]amino}acetamido)-5-nitrobenzamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(cc(cc1)[N+]([O-])=O)c1NC(CNCc1ccco1)=O)=O)=O

InChI

InChI=1S/C23H22N4O7/c1-2-33-23(30)15-5-7-16(8-6-15)25-22(29)19-12-17(27(31)32)9-10-20(19)26-21(28)14-24-13-18-4-3-11-34-18/h3-12,24H,2,13-14H2,1H3,(H,25,29)(H,26,28)

InChI Key

JGMSJWJWHHJAQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.45

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.126

Distribution Coefficient, logD

3.029

Water Solubility, LogSw

-3.54

Polar Surface Area

119.431

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C284-0089 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 C284-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C284-0089?
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What is the minimum amount of C284-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C284-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C284-0089
  • 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 C284-0089 available by request