3063-0243 Screening compound: ethyl 3-hydroxy-3-(3-nitrophenyl)-2-(9-oxo-9H-fluorene-2-sulfonamido)propanoate

3063-0243 Screening compound: ethyl 3-hydroxy-3-(3-nitrophenyl)-2-(9-oxo-9H-fluorene-2-sulfonamido)propanoate
3063-0243 Screening compound: ethyl 3-hydroxy-3-(3-nitrophenyl)-2-(9-oxo-9H-fluorene-2-sulfonamido)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3063-0243
ethyl 3-hydroxy-3-(3-nitrophenyl)-2-(9-oxo-9H-fluorene-2-sulfonamido)propanoate

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

3063-0243

Molecular Formula

C24H20N2O8S (C24 H20 N2 O8 S)

Compound Name

ethyl 3-hydroxy-3-(3-nitrophenyl)-2-(9-oxo-9H-fluorene-2-sulfonamido)propanoate

IUPAC name

ethyl 3-hydroxy-3-(3-nitrophenyl)-2-(9-oxo-9H-fluorene-2-sulfonamido)propanoate

SMILES

CCOC(C(C(c1cc([N+]([O-])=O)ccc1)O)NS(c(cc1)cc2c1-c(cccc1)c1C2=O)(=O)=O)=O

InChI

InChI=1S/C24H20N2O8S/c1-2-34-24(29)21(22(27)14-6-5-7-15(12-14)26(30)31)25-35(32,33)16-10-11-18-17-8-3-4-9-19(17)23(28)20(18)13-16/h3-13,21-22,25,27H,2H2,1H3

InChI Key

IYMPPQXHUUXCLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01080932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.5

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.447

Distribution Coefficient, logD

3.446

Water Solubility, LogSw

-3.90

Polar Surface Area

124.544

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

-9.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.70

3063-0243 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3063-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3063-0243?
Check Price and Availability of 3063-0243, 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 3063-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3063-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3063-0243
  • 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 3063-0243 available by request