F555-0172 Screening compound: N-[4-(benzylamino)-2-oxo-2H-chromen-3-yl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide

F555-0172 Screening compound: N-[4-(benzylamino)-2-oxo-2H-chromen-3-yl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
F555-0172 Screening compound: N-[4-(benzylamino)-2-oxo-2H-chromen-3-yl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F555-0172
N-[4-(benzylamino)-2-oxo-2H-chromen-3-yl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide

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

F555-0172

Molecular Formula

C25H22N4O5S (C25 H22 N4 O5 S)

Compound Name

N-[4-(benzylamino)-2-oxo-2H-chromen-3-yl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide

IUPAC name

N-[4-(benzylamino)-2-oxo-2H-chromen-3-yl]-13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazole-5-sulfonamide

SMILES

CN(c(ccc(S(NC(C(Oc1c2cccc1)=O)=C2NCc1ccccc1)(=O)=O)c1)c1N1C)C1=O

InChI

InChI=1S/C25H22N4O5S/c1-28-19-13-12-17(14-20(19)29(2)25(28)31)35(32,33)27-23-22(26-15-16-8-4-3-5-9-16)18-10-6-7-11-21(18)34-24(23)30/h3-14,26-27H,15H2,1-2H3

InChI Key

VCDSMTLYXDZSMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27176152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.731

Distribution Coefficient, logD

-0.824

Water Solubility, LogSw

-3.79

Polar Surface Area

90.127

Acid Dissociation Constant (pKa)

3.85

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

F555-0172 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F555-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F555-0172?
Check Price and Availability of F555-0172, 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 F555-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F555-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F555-0172
  • 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 F555-0172 available by request