L590-0052 Screening compound: 2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1H,2H,3H-thieno[2,3-b][1,4]thiazin-1-yl]-N-propylacetamide

L590-0052 Screening compound: 2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1H,2H,3H-thieno[2,3-b][1,4]thiazin-1-yl]-N-propylacetamide
L590-0052 Screening compound: 2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1H,2H,3H-thieno[2,3-b][1,4]thiazin-1-yl]-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L590-0052
2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1H,2H,3H-thieno[2,3-b][1,4]thiazin-1-yl]-N-propylacetamide

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

L590-0052

Molecular Formula

C15H21N3O4S3 (C15 H21 N3 O4 S3)

Compound Name

2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1H,2H,3H-thieno[2,3-b][1,4]thiazin-1-yl]-N-propylacetamide

IUPAC name

2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1H2H3H-thieno[23-b][14]thiazin-1-yl]-N-propylacetamide

SMILES

CCCNC(CN(c(cc(s1)S(N2CCCC2)(=O)=O)c1SC1)C1=O)=O

InChI

InChI=1S/C15H21N3O4S3/c1-2-5-16-12(19)9-18-11-8-14(24-15(11)23-10-13(18)20)25(21,22)17-6-3-4-7-17/h8H,2-7,9-10H2,1H3,(H,16,19)

InChI Key

HZAFURRUKUNUGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15131485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.448

Distribution Coefficient, logD

1.448

Water Solubility, LogSw

-2.15

Polar Surface Area

73.299

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

L590-0052 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L590-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L590-0052?
Check Price and Availability of L590-0052, 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 L590-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L590-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L590-0052
  • 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 L590-0052 available by request