L598-0444 Screening compound: ethyl 3-[5-(2-methyl-1,3-thiazol-4-yl)-2-(propan-2-yl)benzenesulfonamido]benzoate

L598-0444 Screening compound: ethyl 3-[5-(2-methyl-1,3-thiazol-4-yl)-2-(propan-2-yl)benzenesulfonamido]benzoate
L598-0444 Screening compound: ethyl 3-[5-(2-methyl-1,3-thiazol-4-yl)-2-(propan-2-yl)benzenesulfonamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L598-0444
ethyl 3-[5-(2-methyl-1,3-thiazol-4-yl)-2-(propan-2-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

L598-0444

Molecular Formula

C22H24N2O4S2 (C22 H24 N2 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H24N2O4S2/c1-5-28-22(25)17-7-6-8-18(11-17)24-30(26,27)21-12-16(9-10-19(21)14(2)3)20-13-29-15(4)23-20/h6-14,24H,5H2,1-4H3

InChI Key

PGARBGFOKBBPHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27464485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.029

Distribution Coefficient, logD

5.699

Water Solubility, LogSw

-5.45

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

27.30

L598-0444 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L598-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L598-0444?
Check Price and Availability of L598-0444, 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 L598-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L598-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L598-0444
  • 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 L598-0444 available by request