7591-0107 Screening compound: ethyl 6-(diethylamino)-3-methyl-1-phenyl-4-(trifluoromethyl)-1H,4H-pyrazolo[4,3-e][1,3]oxazine-4-carboxylate

7591-0107 Screening compound: ethyl 6-(diethylamino)-3-methyl-1-phenyl-4-(trifluoromethyl)-1H,4H-pyrazolo[4,3-e][1,3]oxazine-4-carboxylate
7591-0107 Screening compound: ethyl 6-(diethylamino)-3-methyl-1-phenyl-4-(trifluoromethyl)-1H,4H-pyrazolo[4,3-e][1,3]oxazine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0107
ethyl 6-(diethylamino)-3-methyl-1-phenyl-4-(trifluoromethyl)-1H,4H-pyrazolo[4,3-e][1,3]oxazine-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

7591-0107

Molecular Formula

C20H23F3N4O3 (C20 H23 F3 N4 O3)

Compound Name

ethyl 6-(diethylamino)-3-methyl-1-phenyl-4-(trifluoromethyl)-1H,4H-pyrazolo[4,3-e][1,3]oxazine-4-carboxylate

IUPAC name

ethyl 6-(diethylamino)-3-methyl-1-phenyl-4-(trifluoromethyl)-1H4H-pyrazolo[43-e][13]oxazine-4-carboxylate

SMILES

CCN(CC)C1=NC(C(F)(F)F)(C(OCC)=O)c(c(C)nn2-c3ccccc3)c2O1

InChI

InChI=1S/C20H23F3N4O3/c1-5-26(6-2)18-24-19(20(21,22)23,17(28)29-7-3)15-13(4)25-27(16(15)30-18)14-11-9-8-10-12-14/h8-12H,5-7H2,1-4H3/t19-/m1/s1

InChI Key

WCBVJNIQIDAQEL-LJQANCHMSA-N

MDL Number (MFCD)

MFCD01926309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.599

Distribution Coefficient, logD

1.900

Water Solubility, LogSw

-3.84

Polar Surface Area

54.439

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

9.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

7591-0107 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7591-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0107?
Check Price and Availability of 7591-0107, 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 7591-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0107
  • 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 7591-0107 available by request