0495-0093 Screening compound: 2,22-dinitro-6,7,9,10,12,13,15,16,18,19,26,27,29,30,32,33-hexadecahydrodibenzo[b,n][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontine

0495-0093 Screening compound: 2,22-dinitro-6,7,9,10,12,13,15,16,18,19,26,27,29,30,32,33-hexadecahydrodibenzo[b,n][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontine
0495-0093 Screening compound: 2,22-dinitro-6,7,9,10,12,13,15,16,18,19,26,27,29,30,32,33-hexadecahydrodibenzo[b,n][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0495-0093
2,22-dinitro-6,7,9,10,12,13,15,16,18,19,26,27,29,30,32,33-hexadecahydrodibenzo[b,n][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontine

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

0495-0093

Molecular Formula

C28H38N2O14 (C28 H38 N2 O14)

Compound Name

2,22-dinitro-6,7,9,10,12,13,15,16,18,19,26,27,29,30,32,33-hexadecahydrodibenzo[b,n][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontine

IUPAC name

1436-dinitro-25811182124273033-decaoxatricyclo[32.4.0.0^{1217}]octatriaconta-1(34)12(17)13153537-hexaene

SMILES

[O-][N+](c(cc1)cc2c1OCCOCCOCCOc(cc(cc1)[N+]([O-])=O)c1OCCOCCOCCOCCOCCO2)=O

InChI

InChI=1S/C28H38N2O14/c31-29(32)23-2-4-26-27(21-23)43-19-15-39-10-8-36-6-5-35-7-9-37-13-17-41-25-3-1-24(30(33)34)22-28(25)44-20-16-40-12-11-38-14-18-42-26/h1-4,21-22H,5-20H2

InChI Key

GFOCICNOIPCETC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00987462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

626.61

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

16

Partition Coefficient, logP

0.947

Distribution Coefficient, logD

0.947

Water Solubility, LogSw

-1.83

Polar Surface Area

146.238

Acid Dissociation Constant (pKa)

28.63

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

0495-0093 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 0495-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0495-0093?
Check Price and Availability of 0495-0093, 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 0495-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0495-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0495-0093
  • 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 0495-0093 available by request