F311-0044 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-({5-[(morpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide

F311-0044 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-({5-[(morpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
F311-0044 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-({5-[(morpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F311-0044
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-({5-[(morpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide

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

F311-0044

Molecular Formula

C16H16ClF3N4O3S (C16 H16 ClF3 N4 O3 S)

Compound Name

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-({5-[(morpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide

IUPAC name

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-({5-[(morpholin-4-yl)methyl]-134-oxadiazol-2-yl}sulfanyl)acetamide

SMILES

O=C(CSc1nnc(CN2CCOCC2)o1)Nc(cc1)cc(C(F)(F)F)c1Cl

InChI

InChI=1S/C16H16ClF3N4O3S/c17-12-2-1-10(7-11(12)16(18,19)20)21-13(25)9-28-15-23-22-14(27-15)8-24-3-5-26-6-4-24/h1-2,7H,3-6,8-9H2,(H,21,25)

InChI Key

GWMVNORRNWKPTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09241488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.377

Distribution Coefficient, logD

2.348

Water Solubility, LogSw

-3.59

Polar Surface Area

64.792

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

F311-0044 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with F311-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F311-0044?
Check Price and Availability of F311-0044, 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 F311-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F311-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F311-0044
  • 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 F311-0044 available by request