1623-0070 Screening compound: 12,13-dinitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine

1623-0070 Screening compound: 12,13-dinitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine
1623-0070 Screening compound: 12,13-dinitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1623-0070
12,13-dinitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine

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

1623-0070

Molecular Formula

C12H14N2O8 (C12 H14 N2 O8)

Compound Name

12,13-dinitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine

IUPAC name

1213-dinitro-235689-hexahydro-14710-benzotetraoxacyclododecine

SMILES

[O-][N+](c(cc1OCCOCCOCCOc1c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C12H14N2O8/c15-13(16)9-7-11-12(8-10(9)14(17)18)22-6-4-20-2-1-19-3-5-21-11/h7-8H,1-6H2

InChI Key

COZTVNHODQGZFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.25

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.250

Distribution Coefficient, logD

0.250

Water Solubility, LogSw

-1.27

Polar Surface Area

98.371

Acid Dissociation Constant (pKa)

28.63

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

1623-0070 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 1623-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1623-0070?
Check Price and Availability of 1623-0070, 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 1623-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1623-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1623-0070
  • 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 1623-0070 available by request