M333-0369 Screening compound: ethyl 3-[5-(3,4-dimethyl-1H-pyrazol-5-yl)-2-methylthiophene-3-sulfonamido]benzoate

M333-0369 Screening compound: ethyl 3-[5-(3,4-dimethyl-1H-pyrazol-5-yl)-2-methylthiophene-3-sulfonamido]benzoate
M333-0369 Screening compound: ethyl 3-[5-(3,4-dimethyl-1H-pyrazol-5-yl)-2-methylthiophene-3-sulfonamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M333-0369
ethyl 3-[5-(3,4-dimethyl-1H-pyrazol-5-yl)-2-methylthiophene-3-sulfonamido]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

M333-0369

Molecular Formula

C19H21N3O4S2 (C19 H21 N3 O4 S2)

Compound Name

ethyl 3-[5-(3,4-dimethyl-1H-pyrazol-5-yl)-2-methylthiophene-3-sulfonamido]benzoate

IUPAC name

ethyl 3-[5-(34-dimethyl-1H-pyrazol-5-yl)-2-methylthiophene-3-sulfonamido]benzoate

SMILES

CCOC(c1cccc(NS(c2c(C)sc(-c3c(C)c(C)n[nH]3)c2)(=O)=O)c1)=O

InChI

InChI=1S/C19H21N3O4S2/c1-5-26-19(23)14-7-6-8-15(9-14)22-28(24,25)17-10-16(27-13(17)4)18-11(2)12(3)20-21-18/h6-10,22H,5H2,1-4H3,(H,20,21)

InChI Key

FKOOBOPSNWFOEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.571

Distribution Coefficient, logD

4.511

Water Solubility, LogSw

-4.33

Polar Surface Area

86.497

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

M333-0369 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 M333-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M333-0369?
Check Price and Availability of M333-0369, 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 M333-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M333-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M333-0369
  • 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 M333-0369 available by request