8019-1025 Screening compound: 2-(4-tert-butylphenyl)-6-(morpholin-4-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine

8019-1025 Screening compound: 2-(4-tert-butylphenyl)-6-(morpholin-4-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine
8019-1025 Screening compound: 2-(4-tert-butylphenyl)-6-(morpholin-4-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1025
2-(4-tert-butylphenyl)-6-(morpholin-4-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine

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

8019-1025

Molecular Formula

C19H21F6N3O2 (C19 H21 F6 N3 O2)

Compound Name

2-(4-tert-butylphenyl)-6-(morpholin-4-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine

IUPAC name

2-(4-tert-butylphenyl)-6-(morpholin-4-yl)-44-bis(trifluoromethyl)-4H-135-oxadiazine

SMILES

CC(C)(C)c(cc1)ccc1C1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1

InChI

InChI=1S/C19H21F6N3O2/c1-16(2,3)13-6-4-12(5-7-13)14-26-17(18(20,21)22,19(23,24)25)27-15(30-14)28-8-10-29-11-9-28/h4-7H,8-11H2,1-3H3

InChI Key

JYVKTJZDNOLBAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08098312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.670

Distribution Coefficient, logD

4.670

Water Solubility, LogSw

-4.40

Polar Surface Area

38.261

Acid Dissociation Constant (pKa)

29.10

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

8019-1025 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8019-1025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1025?
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What is the minimum amount of 8019-1025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1025
  • 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 8019-1025 available by request