5777-3820 Screening compound: N~1~-(2-fluorophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

5777-3820 Screening compound: N~1~-(2-fluorophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide
5777-3820 Screening compound: N~1~-(2-fluorophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5777-3820
N~1~-(2-fluorophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

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

5777-3820

Molecular Formula

C15H11FN2O4S (C15 H11 FN2 O4 S)

Compound Name

N~1~-(2-fluorophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

IUPAC name

N-(2-fluorophenyl)-2-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)acetamide

SMILES

O=C(CN(C(c1c2cccc1)=O)S2(=O)=O)Nc(cccc1)c1F

InChI

InChI=1S/C15H11FN2O4S/c16-11-6-2-3-7-12(11)17-14(19)9-18-15(20)10-5-1-4-8-13(10)23(18,21)22/h1-8H,9H2,(H,17,19)

InChI Key

ZRLMQJNXURLDKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00469685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.265

Distribution Coefficient, logD

1.265

Water Solubility, LogSw

-2.48

Polar Surface Area

67.635

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

5777-3820 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with 5777-3820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5777-3820?
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What is the minimum amount of 5777-3820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5777-3820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5777-3820
  • 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 5777-3820 available by request