000L-1690 Screening compound: 4-(heptyloxy)phenyl 2,4-dinitrobenzoate

000L-1690 Screening compound: 4-(heptyloxy)phenyl 2,4-dinitrobenzoate
000L-1690 Screening compound: 4-(heptyloxy)phenyl 2,4-dinitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 000L-1690
4-(heptyloxy)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

000L-1690

Molecular Formula

C20H22N2O7 (C20 H22 N2 O7)

Compound Name

4-(heptyloxy)phenyl 2,4-dinitrobenzoate

IUPAC name

4-(heptyloxy)phenyl 24-dinitrobenzoate

SMILES

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

InChI

InChI=1S/C20H22N2O7/c1-2-3-4-5-6-13-28-16-8-10-17(11-9-16)29-20(23)18-12-7-15(21(24)25)14-19(18)22(26)27/h7-12,14H,2-6,13H2,1H3

InChI Key

DSXLBLZPGUYBRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00981815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.4

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.153

Distribution Coefficient, logD

6.153

Water Solubility, LogSw

-5.42

Polar Surface Area

94.496

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 000L-1690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 000L-1690?
Check Price and Availability of 000L-1690, 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 000L-1690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 000L-1690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 000L-1690
  • 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 000L-1690 available by request