0054-0192 Screening compound: 1,4-dibutoxy-2,5-dinitrobenzene

0054-0192 Screening compound: 1,4-dibutoxy-2,5-dinitrobenzene
0054-0192 Screening compound: 1,4-dibutoxy-2,5-dinitrobenzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0054-0192
1,4-dibutoxy-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

0054-0192

Molecular Formula

C14H20N2O6 (C14 H20 N2 O6)

Compound Name

1,4-dibutoxy-2,5-dinitrobenzene

IUPAC name

14-dibutoxy-25-dinitrobenzene

SMILES

CCCCOc(c([N+]([O-])=O)c1)cc([N+]([O-])=O)c1OCCCC

InChI

InChI=1S/C14H20N2O6/c1-3-5-7-21-13-9-12(16(19)20)14(22-8-6-4-2)10-11(13)15(17)18/h9-10H,3-8H2,1-2H3

InChI Key

QWVSNHRZJQSBTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00408064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.32

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.751

Distribution Coefficient, logD

4.751

Water Solubility, LogSw

-4.60

Polar Surface Area

81.408

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

0054-0192 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 0054-0192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0054-0192?
Check Price and Availability of 0054-0192, 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 0054-0192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0054-0192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0054-0192
  • 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 0054-0192 available by request