0088-0003 Screening compound: 4-nitrophenyl 4-(hexyloxy)benzoate

0088-0003 Screening compound: 4-nitrophenyl 4-(hexyloxy)benzoate
0088-0003 Screening compound: 4-nitrophenyl 4-(hexyloxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0088-0003
4-nitrophenyl 4-(hexyloxy)benzoate

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

0088-0003

Molecular Formula

C19H21NO5 (C19 H21 NO5)

Compound Name

4-nitrophenyl 4-(hexyloxy)benzoate

IUPAC name

4-nitrophenyl 4-(hexyloxy)benzoate

SMILES

CCCCCCOc(cc1)ccc1C(Oc(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C19H21NO5/c1-2-3-4-5-14-24-17-10-6-15(7-11-17)19(21)25-18-12-8-16(9-13-18)20(22)23/h6-13H,2-5,14H2,1H3

InChI Key

GIOIWMPNZBWMDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.693

Distribution Coefficient, logD

5.693

Water Solubility, LogSw

-5.33

Polar Surface Area

61.415

Acid Dissociation Constant (pKa)

27.59

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

0088-0003 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 0088-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0088-0003?
Check Price and Availability of 0088-0003, 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 0088-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0088-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0088-0003
  • 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 0088-0003 available by request