2154-0957 Screening compound: 4-(hexyloxy)phenyl 3,5-dinitrobenzoate

2154-0957 Screening compound: 4-(hexyloxy)phenyl 3,5-dinitrobenzoate
2154-0957 Screening compound: 4-(hexyloxy)phenyl 3,5-dinitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2154-0957
4-(hexyloxy)phenyl 3,5-dinitrobenzoate

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

2154-0957

Molecular Formula

C19H20N2O7 (C19 H20 N2 O7)

Compound Name

4-(hexyloxy)phenyl 3,5-dinitrobenzoate

IUPAC name

4-(hexyloxy)phenyl 35-dinitrobenzoate

SMILES

CCCCCCOc(cc1)ccc1OC(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C19H20N2O7/c1-2-3-4-5-10-27-17-6-8-18(9-7-17)28-19(22)14-11-15(20(23)24)13-16(12-14)21(25)26/h6-9,11-13H,2-5,10H2,1H3

InChI Key

LXNBMPBSILIMMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.38

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.383

Distribution Coefficient, logD

5.383

Water Solubility, LogSw

-5.28

Polar Surface Area

94.797

Acid Dissociation Constant (pKa)

27.59

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with 2154-0957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2154-0957?
Check Price and Availability of 2154-0957, 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 2154-0957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2154-0957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2154-0957
  • 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 2154-0957 available by request