F555-0253 Screening compound: ethyl 4-({4-[(cyclohexylmethyl)amino]-2-oxo-2H-chromen-3-yl}sulfamoyl)benzoate

F555-0253 Screening compound: ethyl 4-({4-[(cyclohexylmethyl)amino]-2-oxo-2H-chromen-3-yl}sulfamoyl)benzoate
F555-0253 Screening compound: ethyl 4-({4-[(cyclohexylmethyl)amino]-2-oxo-2H-chromen-3-yl}sulfamoyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F555-0253
ethyl 4-({4-[(cyclohexylmethyl)amino]-2-oxo-2H-chromen-3-yl}sulfamoyl)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

F555-0253

Molecular Formula

C25H28N2O6S (C25 H28 N2 O6 S)

Compound Name

ethyl 4-({4-[(cyclohexylmethyl)amino]-2-oxo-2H-chromen-3-yl}sulfamoyl)benzoate

IUPAC name

ethyl 4-({4-[(cyclohexylmethyl)amino]-2-oxo-2H-chromen-3-yl}sulfamoyl)benzoate

SMILES

CCOC(c(cc1)ccc1S(NC(C(Oc1c2cccc1)=O)=C2NCC1CCCCC1)(=O)=O)=O

InChI

InChI=1S/C25H28N2O6S/c1-2-32-24(28)18-12-14-19(15-13-18)34(30,31)27-23-22(26-16-17-8-4-3-5-9-17)20-10-6-7-11-21(20)33-25(23)29/h6-7,10-15,17,26-27H,2-5,8-9,16H2,1H3

InChI Key

PNYSUIPPJRYRAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27176214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.807

Distribution Coefficient, logD

0.170

Water Solubility, LogSw

-4.66

Polar Surface Area

93.388

Acid Dissociation Constant (pKa)

2.76

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

F555-0253 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 F555-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F555-0253?
Check Price and Availability of F555-0253, 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 F555-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F555-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F555-0253
  • 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 F555-0253 available by request