1280-3876 Screening compound: 3,13-dinitro-6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecine

1280-3876 Screening compound: 3,13-dinitro-6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecine
1280-3876 Screening compound: 3,13-dinitro-6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1280-3876
3,13-dinitro-6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecine

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

1280-3876

Molecular Formula

C18H18N2O9 (C18 H18 N2 O9)

Compound Name

3,13-dinitro-6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecine

IUPAC name

921-dinitro-25121518-pentaoxatricyclo[17.4.0.0^{611}]tricosa-1(19)6(11)792022-hexaene

SMILES

[O-][N+](c(cc1)cc2c1OCCOc(ccc([N+]([O-])=O)c1)c1OCCOCCO2)=O

InChI

InChI=1S/C18H18N2O9/c21-19(22)13-1-3-15-17(11-13)28-7-5-25-6-8-29-18-12-14(20(23)24)2-4-16(18)27-10-9-26-15/h1-4,11-12H,5-10H2

InChI Key

SJHOCMWBHQCJSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00622829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.35

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.822

Distribution Coefficient, logD

1.822

Water Solubility, LogSw

-2.06

Polar Surface Area

106.695

Acid Dissociation Constant (pKa)

28.63

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 1280-3876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1280-3876?
Check Price and Availability of 1280-3876, 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 1280-3876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1280-3876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1280-3876
  • 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 1280-3876 available by request