8008-3299 Screening compound: 2-(pyridin-2-yl)ethyl N-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]carbamate

8008-3299 Screening compound: 2-(pyridin-2-yl)ethyl N-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]carbamate
8008-3299 Screening compound: 2-(pyridin-2-yl)ethyl N-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3299
2-(pyridin-2-yl)ethyl N-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]carbamate

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

8008-3299

Molecular Formula

C13H15N3O2S3 (C13 H15 N3 O2 S3)

Compound Name

2-(pyridin-2-yl)ethyl N-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]carbamate

IUPAC name

2-(pyridin-2-yl)ethyl N-[35-bis(methylsulfanyl)-12-thiazol-4-yl]carbamate

SMILES

CSc1nsc(SC)c1NC(OCCc1ncccc1)=O

InChI

InChI=1S/C13H15N3O2S3/c1-19-11-10(12(20-2)21-16-11)15-13(17)18-8-6-9-5-3-4-7-14-9/h3-5,7H,6,8H2,1-2H3,(H,15,17)

InChI Key

WJHLASSIPVZDID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.205

Distribution Coefficient, logD

3.202

Water Solubility, LogSw

-3.35

Polar Surface Area

50.475

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

8008-3299 in Drug Discovery

Included in Screening Libraries

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8008-3299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3299?
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What is the minimum amount of 8008-3299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3299
  • 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 8008-3299 available by request