M544-0599 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

M544-0599 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
M544-0599 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M544-0599
N-[(2,4-dimethoxyphenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-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

M544-0599

Molecular Formula

C18H20N2O4S3 (C18 H20 N2 O4 S3)

Compound Name

N-[(2,4-dimethoxyphenyl)methyl]-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

IUPAC name

N-[(24-dimethoxyphenyl)methyl]-5-(4-ethyl-13-thiazol-2-yl)thiophene-2-sulfonamide

SMILES

CCc1csc(-c(s2)ccc2S(NCc(ccc(OC)c2)c2OC)(=O)=O)n1

InChI

InChI=1S/C18H20N2O4S3/c1-4-13-11-25-18(20-13)16-7-8-17(26-16)27(21,22)19-10-12-5-6-14(23-2)9-15(12)24-3/h5-9,11,19H,4,10H2,1-3H3

InChI Key

DTYUYWKRJWKWQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27546841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.731

Distribution Coefficient, logD

4.730

Water Solubility, LogSw

-4.57

Polar Surface Area

68.418

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

M544-0599 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 M544-0599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M544-0599?
Check Price and Availability of M544-0599, 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 M544-0599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M544-0599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M544-0599
  • 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 M544-0599 available by request