2953-0002 Screening compound: 7-oxocyclohepta-1,3,5-trien-1-yl 4-nitrobenzoate

2953-0002 Screening compound: 7-oxocyclohepta-1,3,5-trien-1-yl 4-nitrobenzoate
2953-0002 Screening compound: 7-oxocyclohepta-1,3,5-trien-1-yl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2953-0002
7-oxocyclohepta-1,3,5-trien-1-yl 4-nitrobenzoate

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

2953-0002

Molecular Formula

C14H9NO5 (C14 H9 NO5)

Compound Name

7-oxocyclohepta-1,3,5-trien-1-yl 4-nitrobenzoate

IUPAC name

7-oxocyclohepta-135-trien-1-yl 4-nitrobenzoate

SMILES

[O-][N+](c(cc1)ccc1C(OC1=CC=CC=CC1=O)=O)=O

InChI

InChI=1S/C14H9NO5/c16-12-4-2-1-3-5-13(12)20-14(17)10-6-8-11(9-7-10)15(18)19/h1-9H

InChI Key

FYMMOYJRZNRRAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01856014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.23

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.334

Distribution Coefficient, logD

2.334

Water Solubility, LogSw

-2.67

Polar Surface Area

67.459

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 2953-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2953-0002?
Check Price and Availability of 2953-0002, 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 2953-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2953-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2953-0002
  • 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 2953-0002 available by request