E557-3309 Screening compound: 3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)SULFONYL]-N-(4-METHYLPHENYL)PROPANAMIDE

E557-3309 Screening compound: 3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)SULFONYL]-N-(4-METHYLPHENYL)PROPANAMIDE
E557-3309 Screening compound: 3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)SULFONYL]-N-(4-METHYLPHENYL)PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E557-3309
3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)SULFONYL]-N-(4-METHYLPHENYL)PROPANAMIDE

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

E557-3309

Molecular Formula

C18H18N2O3S2 (C18 H18 N2 O3 S2)

Compound Name

3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)SULFONYL]-N-(4-METHYLPHENYL)PROPANAMIDE

IUPAC name

n/a

SMILES

Cc1nc(ccc(S(CCC(Nc2ccc(C)cc2)=O)(=O)=O)c2)c2s1

InChI

InChI=1S/C18H18N2O3S2/c1-12-3-5-14(6-4-12)20-18(21)9-10-25(22,23)15-7-8-16-17(11-15)24-13(2)19-16/h3-8,11H,9-10H2,1-2H3,(H,20,21)

InChI Key

IZJVDXSPQRGHSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.231

Distribution Coefficient, logD

3.231

Water Solubility, LogSw

-3.56

Polar Surface Area

61.679

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

E557-3309 in Drug Discovery

Included in Screening Libraries

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 E557-3309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E557-3309?
Check Price and Availability of E557-3309, 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 E557-3309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E557-3309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E557-3309
  • 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 E557-3309 available by request