8009-7422 Screening compound: 2-{4-oxo-2-thioxo-5-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-yliden)ethylidene]-1,3-thiazolan-3-yl}acetic acid

8009-7422 Screening compound: 2-{4-oxo-2-thioxo-5-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-yliden)ethylidene]-1,3-thiazolan-3-yl}acetic acid
8009-7422 Screening compound: 2-{4-oxo-2-thioxo-5-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-yliden)ethylidene]-1,3-thiazolan-3-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7422
2-{4-oxo-2-thioxo-5-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-yliden)ethylidene]-1,3-thiazolan-3-yl}acetic acid

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

8009-7422

Molecular Formula

C18H18N2O3S2 (C18 H18 N2 O3 S2)

Compound Name

2-{4-oxo-2-thioxo-5-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-yliden)ethylidene]-1,3-thiazolan-3-yl}acetic acid

IUPAC name

2-[(5E)-4-oxo-2-sulfanylidene-5-{2-[(2E)-133-trimethyl-23-dihydro-1H-indol-2-ylidene]ethylidene}-13-thiazolidin-3-yl]acetic acid

SMILES

CC1(C)c(cccc2)c2N(C)/C1=C/C=C(\C(N1CC(O)=O)=O)/SC1=S

InChI

InChI=1S/C18H18N2O3S2/c1-18(2)11-6-4-5-7-12(11)19(3)14(18)9-8-13-16(23)20(10-15(21)22)17(24)25-13/h4-9H,10H2,1-3H3,(H,21,22)

InChI Key

WOANOBPXYMWGAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.125

Distribution Coefficient, logD

-0.994

Water Solubility, LogSw

-2.84

Polar Surface Area

46.370

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

8009-7422 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8009-7422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7422?
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What is the minimum amount of 8009-7422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7422
  • 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 8009-7422 available by request