C284-0090 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-{[(furan-2-yl)methyl]amino}acetamido)-5-nitrobenzamide

C284-0090 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-{[(furan-2-yl)methyl]amino}acetamido)-5-nitrobenzamide
C284-0090 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-{[(furan-2-yl)methyl]amino}acetamido)-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C284-0090
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-{[(furan-2-yl)methyl]amino}acetamido)-5-nitrobenzamide

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

C284-0090

Molecular Formula

C22H20N4O7 (C22 H20 N4 O7)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-{[(furan-2-yl)methyl]amino}acetamido)-5-nitrobenzamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-(2-{[(furan-2-yl)methyl]amino}acetamido)-5-nitrobenzamide

SMILES

[O-][N+](c(cc1)cc(C(Nc(cc2)cc3c2OCCO3)=O)c1NC(CNCc1ccco1)=O)=O

InChI

InChI=1S/C22H20N4O7/c27-21(13-23-12-16-2-1-7-31-16)25-18-5-4-15(26(29)30)11-17(18)22(28)24-14-3-6-19-20(10-14)33-9-8-32-19/h1-7,10-11,23H,8-9,12-13H2,(H,24,28)(H,25,27)

InChI Key

FNUDXDXUTXAKOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.42

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.497

Distribution Coefficient, logD

1.400

Water Solubility, LogSw

-2.45

Polar Surface Area

114.500

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C284-0090 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 C284-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C284-0090?
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What is the minimum amount of C284-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C284-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C284-0090
  • 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 C284-0090 available by request