E559-0236 Screening compound: 7-methyl-5-oxo-N-[(thiophen-2-yl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

E559-0236 Screening compound: 7-methyl-5-oxo-N-[(thiophen-2-yl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
E559-0236 Screening compound: 7-methyl-5-oxo-N-[(thiophen-2-yl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E559-0236
7-methyl-5-oxo-N-[(thiophen-2-yl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

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

E559-0236

Molecular Formula

C12H11N3O3S3 (C12 H11 N3 O3 S3)

Compound Name

7-methyl-5-oxo-N-[(thiophen-2-yl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

IUPAC name

7-methyl-5-oxo-N-[(thiophen-2-yl)methyl]-5H-[13]thiazolo[32-a]pyrimidine-6-sulfonamide

SMILES

CC(N=C1SC=CN1C1=O)=C1S(NCc1cccs1)(=O)=O

InChI

InChI=1S/C12H11N3O3S3/c1-8-10(11(16)15-4-6-20-12(15)14-8)21(17,18)13-7-9-3-2-5-19-9/h2-6,13H,7H2,1H3

InChI Key

SPBMZRRWBLBFEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.705

Distribution Coefficient, logD

0.698

Water Solubility, LogSw

-2.22

Polar Surface Area

67.881

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E559-0236 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E559-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E559-0236?
Check Price and Availability of E559-0236, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E559-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E559-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E559-0236
  • 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 E559-0236 available by request