7591-0037 Screening compound: ethyl 2-(diethylamino)-6-(2-furyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate

7591-0037 Screening compound: ethyl 2-(diethylamino)-6-(2-furyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate
7591-0037 Screening compound: ethyl 2-(diethylamino)-6-(2-furyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0037
ethyl 2-(diethylamino)-6-(2-furyl)-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

7591-0037

Molecular Formula

C15H18F3N3O4 (C15 H18 F3 N3 O4)

Compound Name

ethyl 2-(diethylamino)-6-(2-furyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate

IUPAC name

ethyl 2-(diethylamino)-6-(furan-2-yl)-4-(trifluoromethyl)-4H-135-oxadiazine-4-carboxylate

SMILES

CCN(CC)C1=NC(C(F)(F)F)(C(OCC)=O)N=C(c2ccco2)O1

InChI

InChI=1S/C15H18F3N3O4/c1-4-21(5-2)13-20-14(15(16,17)18,12(22)23-6-3)19-11(25-13)10-8-7-9-24-10/h7-9H,4-6H2,1-3H3/t14-/m1/s1

InChI Key

FNYTYJQSMRTQNQ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD00789152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.474

Distribution Coefficient, logD

2.462

Water Solubility, LogSw

-2.47

Polar Surface Area

58.968

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

7591-0037 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7591-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0037?
Check Price and Availability of 7591-0037, 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 7591-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0037
  • 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 7591-0037 available by request