0088-0009 Screening compound: 4-nitrophenyl 4-heptylbenzoate

0088-0009 Screening compound: 4-nitrophenyl 4-heptylbenzoate
0088-0009 Screening compound: 4-nitrophenyl 4-heptylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0088-0009
4-nitrophenyl 4-heptylbenzoate

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

0088-0009

Molecular Formula

C20H23NO4 (C20 H23 NO4)

Compound Name

4-nitrophenyl 4-heptylbenzoate

IUPAC name

4-nitrophenyl 4-heptylbenzoate

SMILES

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

InChI

InChI=1S/C20H23NO4/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)20(22)25-19-14-12-18(13-15-19)21(23)24/h8-15H,2-7H2,1H3

InChI Key

IBDKWNWEKLPRQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.730

Distribution Coefficient, logD

6.730

Water Solubility, LogSw

-5.68

Polar Surface Area

53.998

Acid Dissociation Constant (pKa)

26.71

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

0088-0009 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 0088-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0088-0009?
Check Price and Availability of 0088-0009, 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 0088-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0088-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0088-0009
  • 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 0088-0009 available by request