M089-0218 Screening compound: N-(2-chloro-4,6-dimethoxyphenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide

M089-0218 Screening compound: N-(2-chloro-4,6-dimethoxyphenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
M089-0218 Screening compound: N-(2-chloro-4,6-dimethoxyphenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M089-0218
N-(2-chloro-4,6-dimethoxyphenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-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

M089-0218

Molecular Formula

C17H15ClF3N3O4S2 (C17 H15 ClF3 N3 O4 S2)

Compound Name

N-(2-chloro-4,6-dimethoxyphenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide

IUPAC name

N-(2-chloro-46-dimethoxyphenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide

SMILES

Cc(sc(-c1n[nH]c(C(F)(F)F)c1)c1)c1S(Nc(c(OC)cc(OC)c1)c1Cl)(=O)=O

InChI

InChI=1S/C17H15ClF3N3O4S2/c1-8-14(7-13(29-8)11-6-15(23-22-11)17(19,20)21)30(25,26)24-16-10(18)4-9(27-2)5-12(16)28-3/h4-7,24H,1-3H3,(H,22,23)

InChI Key

JCSXLTURRAKVHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27496586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.388

Distribution Coefficient, logD

2.458

Water Solubility, LogSw

-4.60

Polar Surface Area

78.175

Acid Dissociation Constant (pKa)

5.48

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

M089-0218 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M089-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M089-0218?
Check Price and Availability of M089-0218, 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 M089-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M089-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M089-0218
  • 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 M089-0218 available by request