0258-0095 Screening compound: 4-(pentyloxy)phenyl 2,4-dinitrobenzoate

0258-0095 Screening compound: 4-(pentyloxy)phenyl 2,4-dinitrobenzoate
0258-0095 Screening compound: 4-(pentyloxy)phenyl 2,4-dinitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0258-0095
4-(pentyloxy)phenyl 2,4-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

0258-0095

Molecular Formula

C18H18N2O7 (C18 H18 N2 O7)

Compound Name

4-(pentyloxy)phenyl 2,4-dinitrobenzoate

IUPAC name

4-(pentyloxy)phenyl 24-dinitrobenzoate

SMILES

CCCCCOc(cc1)ccc1OC(c(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C18H18N2O7/c1-2-3-4-11-26-14-6-8-15(9-7-14)27-18(21)16-10-5-13(19(22)23)12-17(16)20(24)25/h5-10,12H,2-4,11H2,1H3

InChI Key

IQUXVWCCYFCTNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.35

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.162

Distribution Coefficient, logD

5.162

Water Solubility, LogSw

-4.99

Polar Surface Area

94.496

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with 0258-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0258-0095?
Check Price and Availability of 0258-0095, 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 0258-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0258-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0258-0095
  • 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 0258-0095 available by request