M087-0010 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

M087-0010 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
M087-0010 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M087-0010
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-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

M087-0010

Molecular Formula

C16H17F3N2O3S2 (C16 H17 F3 N2 O3 S2)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[5-(trifluoromethyl)-12-oxazol-3-yl]thiophene-2-sulfonamide

SMILES

O=S(c1cc(-c2noc(C(F)(F)F)c2)cs1)(NCCC1=CCCCC1)=O

InChI

InChI=1S/C16H17F3N2O3S2/c17-16(18,19)14-9-13(21-24-14)12-8-15(25-10-12)26(22,23)20-7-6-11-4-2-1-3-5-11/h4,8-10,20H,1-3,5-7H2

InChI Key

ANVFCJGZKDVWNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15140691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.501

Distribution Coefficient, logD

4.501

Water Solubility, LogSw

-4.32

Polar Surface Area

64.584

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

-5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

M087-0010 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with M087-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M087-0010?
Check Price and Availability of M087-0010, 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 M087-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M087-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M087-0010
  • 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 M087-0010 available by request