M086-1388 Screening compound: 1-{2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonyl}-4-(pyridin-2-yl)piperazine

M086-1388 Screening compound: 1-{2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonyl}-4-(pyridin-2-yl)piperazine
M086-1388 Screening compound: 1-{2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonyl}-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound M086-1388
1-{2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonyl}-4-(pyridin-2-yl)piperazine

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

M086-1388

Molecular Formula

C21H21F3N4O3S (C21 H21 F3 N4 O3 S)

Compound Name

1-{2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonyl}-4-(pyridin-2-yl)piperazine

IUPAC name

1-{2-ethyl-5-[5-(trifluoromethyl)-12-oxazol-3-yl]benzenesulfonyl}-4-(pyridin-2-yl)piperazine

SMILES

CCc(ccc(-c1noc(C(F)(F)F)c1)c1)c1S(N(CC1)CCN1c1ncccc1)(=O)=O

InChI

InChI=1S/C21H21F3N4O3S/c1-2-15-6-7-16(17-14-19(31-26-17)21(22,23)24)13-18(15)32(29,30)28-11-9-27(10-12-28)20-5-3-4-8-25-20/h3-8,13-14H,2,9-12H2,1H3

InChI Key

RDBSJEJXAHEGLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15140666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.946

Distribution Coefficient, logD

4.922

Water Solubility, LogSw

-4.70

Polar Surface Area

65.256

Acid Dissociation Constant (pKa)

24.33

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M086-1388 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M086-1388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M086-1388?
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What is the minimum amount of M086-1388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M086-1388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M086-1388
  • 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 M086-1388 available by request