8013-7553 Screening compound: 4-nitrobenzyl 9-oxo-9H-fluorene-3-carboxylate

8013-7553 Screening compound: 4-nitrobenzyl 9-oxo-9H-fluorene-3-carboxylate
8013-7553 Screening compound: 4-nitrobenzyl 9-oxo-9H-fluorene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-7553
4-nitrobenzyl 9-oxo-9H-fluorene-3-carboxylate

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

8013-7553

Molecular Formula

C21H13NO5 (C21 H13 NO5)

Compound Name

4-nitrobenzyl 9-oxo-9H-fluorene-3-carboxylate

IUPAC name

(4-nitrophenyl)methyl 9-oxo-9H-fluorene-3-carboxylate

SMILES

[O-][N+](c1ccc(COC(c(cc2)cc(-c3c4cccc3)c2C4=O)=O)cc1)=O

InChI

InChI=1S/C21H13NO5/c23-20-17-4-2-1-3-16(17)19-11-14(7-10-18(19)20)21(24)27-12-13-5-8-15(9-6-13)22(25)26/h1-11H,12H2

InChI Key

JZTYKRDPGSLWRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03145683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.979

Distribution Coefficient, logD

4.979

Water Solubility, LogSw

-5.12

Polar Surface Area

67.639

Acid Dissociation Constant (pKa)

29.97

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.76

8013-7553 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-7553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-7553?
Check Price and Availability of 8013-7553, 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 8013-7553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-7553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-7553
  • 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 8013-7553 available by request