0242-0345 Screening compound: 2,20-dinitro-6,7,9,10,12,13,15,16,23,24,26,27,29,30-tetradecahydrodibenzo[b,n][1,4,7,10,13,16,19,22,25]nonaoxacycloheptacosine

0242-0345 Screening compound: 2,20-dinitro-6,7,9,10,12,13,15,16,23,24,26,27,29,30-tetradecahydrodibenzo[b,n][1,4,7,10,13,16,19,22,25]nonaoxacycloheptacosine
0242-0345 Screening compound: 2,20-dinitro-6,7,9,10,12,13,15,16,23,24,26,27,29,30-tetradecahydrodibenzo[b,n][1,4,7,10,13,16,19,22,25]nonaoxacycloheptacosine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-0345
2,20-dinitro-6,7,9,10,12,13,15,16,23,24,26,27,29,30-tetradecahydrodibenzo[b,n][1,4,7,10,13,16,19,22,25]nonaoxacycloheptacosine

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

0242-0345

Molecular Formula

C26H34N2O13 (C26 H34 N2 O13)

Compound Name

2,20-dinitro-6,7,9,10,12,13,15,16,23,24,26,27,29,30-tetradecahydrodibenzo[b,n][1,4,7,10,13,16,19,22,25]nonaoxacycloheptacosine

IUPAC name

1434-dinitro-258111821242730-nonaoxatricyclo[29.4.0.0^{1217}]pentatriaconta-1(31)12(17)13153234-hexaene

SMILES

[O-][N+](c(cc1)cc2c1OCCOCCOCCOCCOc(ccc([N+]([O-])=O)c1)c1OCCOCCOCCO2)=O

InChI

InChI=1S/C26H34N2O13/c29-27(30)21-1-3-23-25(19-21)40-17-13-36-9-10-37-14-18-41-26-20-22(28(31)32)2-4-24(26)39-16-12-35-8-6-33-5-7-34-11-15-38-23/h1-4,19-20H,5-18H2

InChI Key

YONVJLUCCOMDFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00624564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

582.56

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

1.122

Distribution Coefficient, logD

1.122

Water Solubility, LogSw

-2.03

Polar Surface Area

138.329

Acid Dissociation Constant (pKa)

28.63

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

0242-0345 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0242-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-0345?
Check Price and Availability of 0242-0345, 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 0242-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-0345
  • 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 0242-0345 available by request