M089-0061 Screening compound: 1-({2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl}sulfonyl)azepane

M089-0061 Screening compound: 1-({2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl}sulfonyl)azepane
M089-0061 Screening compound: 1-({2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl}sulfonyl)azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound M089-0061
1-({2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl}sulfonyl)azepane

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

M089-0061

Molecular Formula

C15H18F3N3O2S2 (C15 H18 F3 N3 O2 S2)

Compound Name

1-({2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl}sulfonyl)azepane

IUPAC name

1-({2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl}sulfonyl)azepane

SMILES

Cc(sc(-c1n[nH]c(C(F)(F)F)c1)c1)c1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C15H18F3N3O2S2/c1-10-13(25(22,23)21-6-4-2-3-5-7-21)9-12(24-10)11-8-14(20-19-11)15(16,17)18/h8-9H,2-7H2,1H3,(H,19,20)

InChI Key

JUNWNSKZHZTBEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15140753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.259

Distribution Coefficient, logD

4.252

Water Solubility, LogSw

-4.13

Polar Surface Area

55.789

Acid Dissociation Constant (pKa)

5.70

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

M089-0061 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M089-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M089-0061?
Check Price and Availability of M089-0061, 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 M089-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M089-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M089-0061
  • 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 M089-0061 available by request