8009-2950 Screening compound: 4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 2-fluorobenzoate

8009-2950 Screening compound: 4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 2-fluorobenzoate
8009-2950 Screening compound: 4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 2-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2950
4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 2-fluorobenzoate

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

8009-2950

Molecular Formula

C20H13FN2O4S (C20 H13 FN2 O4 S)

Compound Name

4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 2-fluorobenzoate

IUPAC name

4-[(11-dioxo-1lambda62-benzothiazol-3-yl)amino]phenyl 2-fluorobenzoate

SMILES

O=C(c(cccc1)c1F)Oc(cc1)ccc1NC(c1c2cccc1)=NS2(=O)=O

InChI

InChI=1S/C20H13FN2O4S/c21-17-7-3-1-5-15(17)20(24)27-14-11-9-13(10-12-14)22-19-16-6-2-4-8-18(16)28(25,26)23-19/h1-12H,(H,22,23)

InChI Key

ZIMKRWBUEOJDBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.499

Distribution Coefficient, logD

3.489

Water Solubility, LogSw

-4.00

Polar Surface Area

71.222

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8009-2950 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8009-2950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2950?
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What is the minimum amount of 8009-2950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2950
  • 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 8009-2950 available by request