4477-1547 Screening compound: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethan-1-one

4477-1547 Screening compound: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethan-1-one
4477-1547 Screening compound: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-1547
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethan-1-one

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

4477-1547

Molecular Formula

C17H18N2OS2 (C17 H18 N2 OS2)

Compound Name

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethan-1-one

IUPAC name

2-(45-dihydro-13-thiazol-2-ylsulfanyl)-1-(2349-tetrahydro-1H-carbazol-9-yl)ethan-1-one

SMILES

O=C(CSC1=NCCS1)n1c(cccc2)c2c2c1CCCC2

InChI

InChI=1S/C17H18N2OS2/c20-16(11-22-17-18-9-10-21-17)19-14-7-3-1-5-12(14)13-6-2-4-8-15(13)19/h1,3,5,7H,2,4,6,8-11H2

InChI Key

DJRSFRQTXFGASH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01796524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.694

Distribution Coefficient, logD

3.681

Water Solubility, LogSw

-4.06

Polar Surface Area

24.470

Acid Dissociation Constant (pKa)

24.59

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

4477-1547 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

DGK Inhibitors Library (10558 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 4477-1547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-1547?
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What is the minimum amount of 4477-1547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-1547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-1547
  • 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 4477-1547 available by request