F555-0002 Screening compound: N-[4-(methylamino)-2-oxo-2H-chromen-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide

F555-0002 Screening compound: N-[4-(methylamino)-2-oxo-2H-chromen-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide
F555-0002 Screening compound: N-[4-(methylamino)-2-oxo-2H-chromen-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F555-0002
N-[4-(methylamino)-2-oxo-2H-chromen-3-yl]-2,1,3-benzothiadiazole-4-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

F555-0002

Molecular Formula

C16H12N4O4S2 (C16 H12 N4 O4 S2)

Compound Name

N-[4-(methylamino)-2-oxo-2H-chromen-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide

IUPAC name

N-[4-(methylamino)-2-oxo-2H-chromen-3-yl]-213-benzothiadiazole-4-sulfonamide

SMILES

CNC(c(cccc1)c1OC1=O)=C1NS(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C16H12N4O4S2/c1-17-13-9-5-2-3-7-11(9)24-16(21)15(13)20-26(22,23)12-8-4-6-10-14(12)19-25-18-10/h2-8,17,20H,1H3

InChI Key

ZXDSCVNVKOQUNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14958787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.653

Distribution Coefficient, logD

-2.963

Water Solubility, LogSw

-2.58

Polar Surface Area

93.817

Acid Dissociation Constant (pKa)

2.78

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

F555-0002 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F555-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F555-0002?
Check Price and Availability of F555-0002, 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 F555-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F555-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F555-0002
  • 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 F555-0002 available by request