0177-0049 Screening compound: 2,16-dinitro-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine

0177-0049 Screening compound: 2,16-dinitro-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine
0177-0049 Screening compound: 2,16-dinitro-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0177-0049
2,16-dinitro-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine

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

0177-0049

Molecular Formula

C24H30N2O12 (C24 H30 N2 O12)

Compound Name

2,16-dinitro-6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine

IUPAC name

1430-dinitro-2581118212427-octaoxatricyclo[26.4.0.0^{1217}]dotriaconta-1(28)1214162931-hexaene

SMILES

[O-][N+](c(cc1)cc2c1OCCOCCOCCOc(cc(cc1)[N+]([O-])=O)c1OCCOCCOCCO2)=O

InChI

InChI=1S/C24H30N2O12/c27-25(28)19-1-3-21-23(17-19)37-15-11-33-8-6-32-10-14-36-22-4-2-20(26(29)30)18-24(22)38-16-12-34-7-5-31-9-13-35-21/h1-4,17-18H,5-16H2

InChI Key

GPYBLEBQPNBUOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00188442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.51

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

1.297

Distribution Coefficient, logD

1.297

Water Solubility, LogSw

-1.99

Polar Surface Area

130.421

Acid Dissociation Constant (pKa)

28.63

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 0177-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0177-0049?
Check Price and Availability of 0177-0049, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0177-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0177-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0177-0049
  • 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 0177-0049 available by request