7591-0193 Screening compound: methyl 4-(3-chlorophenyl)-8-methyl-2-(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine-2-carboxylate

7591-0193 Screening compound: methyl 4-(3-chlorophenyl)-8-methyl-2-(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine-2-carboxylate
7591-0193 Screening compound: methyl 4-(3-chlorophenyl)-8-methyl-2-(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0193
methyl 4-(3-chlorophenyl)-8-methyl-2-(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine-2-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

7591-0193

Molecular Formula

C17H13ClF3N3O2 (C17 H13 ClF3 N3 O2)

Compound Name

methyl 4-(3-chlorophenyl)-8-methyl-2-(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine-2-carboxylate

IUPAC name

methyl 4-(3-chlorophenyl)-8-methyl-2-(trifluoromethyl)-2H-pyrido[12-a][135]triazine-2-carboxylate

SMILES

CC1=CC2=NC(C(F)(F)F)(C(OC)=O)N=C(c3cccc(Cl)c3)N2C=C1

InChI

InChI=1S/C17H13ClF3N3O2/c1-10-6-7-24-13(8-10)22-16(15(25)26-2,17(19,20)21)23-14(24)11-4-3-5-12(18)9-11/h3-9H,1-2H3/t16-/m1/s1

InChI Key

IQVXQXDGLDZHBX-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02934546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.115

Distribution Coefficient, logD

-1.480

Water Solubility, LogSw

-4.58

Polar Surface Area

43.834

Acid Dissociation Constant (pKa)

35.42

Base Dissociation Constant (pKb)

12.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

7591-0193 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 7591-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0193?
Check Price and Availability of 7591-0193, 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 7591-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0193
  • 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 7591-0193 available by request