8009-0090 Screening compound: 2-(2-{[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,3-dihydro-1H-isoindole-1,3-dione

8009-0090 Screening compound: 2-(2-{[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,3-dihydro-1H-isoindole-1,3-dione
8009-0090 Screening compound: 2-(2-{[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0090
2-(2-{[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,3-dihydro-1H-isoindole-1,3-dione

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

8009-0090

Molecular Formula

C30H18N2O3S2 (C30 H18 N2 O3 S2)

Compound Name

2-(2-{[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-(2-{[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl}-13-benzothiazol-6-yl)-23-dihydro-1H-isoindole-13-dione

SMILES

O=C(CSc1nc(ccc(N(C(c2c3cccc2)=O)C3=O)c2)c2s1)c(cc1)cc(C2)c1-c1c2cccc1

InChI

InChI=1S/C30H18N2O3S2/c33-26(18-9-11-22-19(14-18)13-17-5-1-2-6-21(17)22)16-36-30-31-25-12-10-20(15-27(25)37-30)32-28(34)23-7-3-4-8-24(23)29(32)35/h1-12,14-15H,13,16H2

InChI Key

HMGJHPXDRRGOMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01429440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.185

Distribution Coefficient, logD

7.185

Water Solubility, LogSw

-6.19

Polar Surface Area

50.952

Acid Dissociation Constant (pKa)

17.52

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8009-0090 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

DGK Inhibitors Library (10558 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8009-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0090?
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What is the minimum amount of 8009-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0090
  • 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 8009-0090 available by request