M088-0061 Screening compound: 1-({2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl}sulfonyl)azepane

M088-0061 Screening compound: 1-({2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl}sulfonyl)azepane
M088-0061 Screening compound: 1-({2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl}sulfonyl)azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound M088-0061
1-({2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-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

M088-0061

Molecular Formula

C15H17F3N2O3S2 (C15 H17 F3 N2 O3 S2)

Compound Name

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

IUPAC name

1-({2-methyl-5-[5-(trifluoromethyl)-12-oxazol-3-yl]thiophen-3-yl}sulfonyl)azepane

SMILES

Cc(sc(-c1noc(C(F)(F)F)c1)c1)c1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C15H17F3N2O3S2/c1-10-13(25(21,22)20-6-4-2-3-5-7-20)9-12(24-10)11-8-14(23-19-11)15(16,17)18/h8-9H,2-7H2,1H3

InChI Key

HWTBUVXVDLQFGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15140713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.401

Distribution Coefficient, logD

4.401

Water Solubility, LogSw

-4.21

Polar Surface Area

54.834

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

-4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

M088-0061 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M088-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M088-0061?
Check Price and Availability of M088-0061, 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 M088-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M088-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M088-0061
  • 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 M088-0061 available by request