L598-0051 Screening compound: ethyl 3-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamido]benzoate

L598-0051 Screening compound: ethyl 3-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamido]benzoate
L598-0051 Screening compound: ethyl 3-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L598-0051
ethyl 3-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamido]benzoate

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

L598-0051

Molecular Formula

C20H20N2O4S2 (C20 H20 N2 O4 S2)

Compound Name

ethyl 3-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamido]benzoate

IUPAC name

ethyl 3-[2-methyl-5-(2-methyl-13-thiazol-4-yl)benzenesulfonamido]benzoate

SMILES

CCOC(c1cccc(NS(c2c(C)ccc(-c3csc(C)n3)c2)(=O)=O)c1)=O

InChI

InChI=1S/C20H20N2O4S2/c1-4-26-20(23)16-6-5-7-17(10-16)22-28(24,25)19-11-15(9-8-13(19)2)18-12-27-14(3)21-18/h5-12,22H,4H2,1-3H3

InChI Key

YNNPEBCDTBPPQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15131913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.336

Distribution Coefficient, logD

5.006

Water Solubility, LogSw

-5.30

Polar Surface Area

71.182

Acid Dissociation Constant (pKa)

7.34

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L598-0051 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L598-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L598-0051?
Check Price and Availability of L598-0051, 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 L598-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L598-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L598-0051
  • 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 L598-0051 available by request