0495-0078 Screening compound: 7,13-bis[(4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane

0495-0078 Screening compound: 7,13-bis[(4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane
0495-0078 Screening compound: 7,13-bis[(4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane alternative view

Chemical Structure Depiction of ChemDiv screening compound 0495-0078
7,13-bis[(4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane

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

0495-0078

Molecular Formula

C24H32N4O7 (C24 H32 N4 O7)

Compound Name

7,13-bis[(4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane

IUPAC name

713-bis[(4-nitrophenyl)methyl]-1410-trioxa-713-diazacyclopentadecane

SMILES

[O-][N+](c1ccc(CN2CCOCCOCCN(Cc(cc3)ccc3[N+]([O-])=O)CCOCC2)cc1)=O

InChI

InChI=1S/C24H32N4O7/c29-27(30)23-5-1-21(2-6-23)19-25-9-13-33-14-10-26(12-16-35-18-17-34-15-11-25)20-22-3-7-24(8-4-22)28(31)32/h1-8H,9-20H2

InChI Key

UKMHVECLTZDSBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00323677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.54

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.503

Distribution Coefficient, logD

2.476

Water Solubility, LogSw

-2.40

Polar Surface Area

98.331

Acid Dissociation Constant (pKa)

28.78

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

0495-0078 in Drug Discovery

Included in Screening Libraries

Human Ion Channels Annotated Library (353 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0495-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0495-0078?
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What is the minimum amount of 0495-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0495-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0495-0078
  • 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 0495-0078 available by request