7591-0073 Screening compound: ethyl 6-(dimethylamino)-3-methyl-1-phenyl-4-(trifluoromethyl)-1,4-dihydropyrazolo[4,3-e][1,3]oxazine-4-carboxylate

7591-0073 Screening compound: ethyl 6-(dimethylamino)-3-methyl-1-phenyl-4-(trifluoromethyl)-1,4-dihydropyrazolo[4,3-e][1,3]oxazine-4-carboxylate
7591-0073 Screening compound: ethyl 6-(dimethylamino)-3-methyl-1-phenyl-4-(trifluoromethyl)-1,4-dihydropyrazolo[4,3-e][1,3]oxazine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0073
ethyl 6-(dimethylamino)-3-methyl-1-phenyl-4-(trifluoromethyl)-1,4-dihydropyrazolo[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

7591-0073

Molecular Formula

C18H19F3N4O3 (C18 H19 F3 N4 O3)

Compound Name

ethyl 6-(dimethylamino)-3-methyl-1-phenyl-4-(trifluoromethyl)-1,4-dihydropyrazolo[4,3-e][1,3]oxazine-4-carboxylate

IUPAC name

n/a

SMILES

CCOC(C1(C(F)(F)F)N=C(N(C)C)Oc2c1c(C)nn2-c1ccccc1)=O

InChI

InChI=1S/C18H19F3N4O3/c1-5-27-15(26)17(18(19,20)21)13-11(2)23-25(12-9-7-6-8-10-12)14(13)28-16(22-17)24(3)4/h6-10H,5H2,1-4H3/t17-/m1/s1

InChI Key

WEZMZJVEJZILST-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD01655592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.665

Distribution Coefficient, logD

0.692

Water Solubility, LogSw

-2.82

Polar Surface Area

54.508

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

9.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

7591-0073 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 7591-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0073?
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What is the minimum amount of 7591-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0073
  • 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 7591-0073 available by request