5256-6085 Screening compound: ethyl 2-(4-methoxyphenyl)-6-(piperidin-1-yl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate

5256-6085 Screening compound: ethyl 2-(4-methoxyphenyl)-6-(piperidin-1-yl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate
5256-6085 Screening compound: ethyl 2-(4-methoxyphenyl)-6-(piperidin-1-yl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5256-6085
ethyl 2-(4-methoxyphenyl)-6-(piperidin-1-yl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate

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

5256-6085

Molecular Formula

C19H22F3N3O4 (C19 H22 F3 N3 O4)

Compound Name

ethyl 2-(4-methoxyphenyl)-6-(piperidin-1-yl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate

IUPAC name

ethyl 2-(4-methoxyphenyl)-6-(piperidin-1-yl)-4-(trifluoromethyl)-4H-135-oxadiazine-4-carboxylate

SMILES

CCOC(C1(C(F)(F)F)N=C(N2CCCCC2)OC(c(cc2)ccc2OC)=N1)=O

InChI

InChI=1S/C19H22F3N3O4/c1-3-28-16(26)18(19(20,21)22)23-15(13-7-9-14(27-2)10-8-13)29-17(24-18)25-11-5-4-6-12-25/h7-10H,3-6,11-12H2,1-2H3/t18-/m1/s1

InChI Key

RZBUYYYWFXGKFP-GOSISDBHSA-N

MDL Number (MFCD)

MFCD00789334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.549

Distribution Coefficient, logD

3.548

Water Solubility, LogSw

-3.49

Polar Surface Area

58.650

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.60

5256-6085 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 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 5256-6085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5256-6085?
Check Price and Availability of 5256-6085, 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 5256-6085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5256-6085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5256-6085
  • 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 5256-6085 available by request