0052-0097 Screening compound: 1,4-bis(heptyloxy)-2,5-dinitrobenzene

0052-0097 Screening compound: 1,4-bis(heptyloxy)-2,5-dinitrobenzene
0052-0097 Screening compound: 1,4-bis(heptyloxy)-2,5-dinitrobenzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0052-0097
1,4-bis(heptyloxy)-2,5-dinitrobenzene

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

0052-0097

Molecular Formula

C20H32N2O6 (C20 H32 N2 O6)

Compound Name

1,4-bis(heptyloxy)-2,5-dinitrobenzene

IUPAC name

14-bis(heptyloxy)-25-dinitrobenzene

SMILES

CCCCCCCOc(c([N+]([O-])=O)c1)cc([N+]([O-])=O)c1OCCCCCCC

InChI

InChI=1S/C20H32N2O6/c1-3-5-7-9-11-13-27-19-15-18(22(25)26)20(16-17(19)21(23)24)28-14-12-10-8-6-4-2/h15-16H,3-14H2,1-2H3

InChI Key

IDZHMQGMKZXDGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00226735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.835

Distribution Coefficient, logD

7.835

Water Solubility, LogSw

-5.80

Polar Surface Area

81.408

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

0052-0097 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 0052-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0052-0097?
Check Price and Availability of 0052-0097, 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 0052-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0052-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0052-0097
  • 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 0052-0097 available by request