7591-0194 Screening compound: methyl 7,9-dichloro-4-phenyl-2-(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine-2-carboxylate

7591-0194 Screening compound: methyl 7,9-dichloro-4-phenyl-2-(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine-2-carboxylate
7591-0194 Screening compound: methyl 7,9-dichloro-4-phenyl-2-(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0194
methyl 7,9-dichloro-4-phenyl-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

7591-0194

Molecular Formula

C16H10Cl2F3N3O2 (C16 H10 Cl2 F3 N3 O2)

Compound Name

methyl 7,9-dichloro-4-phenyl-2-(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine-2-carboxylate

IUPAC name

methyl 79-dichloro-4-phenyl-2-(trifluoromethyl)-2H-pyrido[12-a][135]triazine-2-carboxylate

SMILES

COC(C1(C(F)(F)F)N=C(C(Cl)=CC(Cl)=C2)N2C(c2ccccc2)=N1)=O

InChI

InChI=1S/C16H10Cl2F3N3O2/c1-26-14(25)15(16(19,20)21)22-12(9-5-3-2-4-6-9)24-8-10(17)7-11(18)13(24)23-15/h2-8H,1H3/t15-/m1/s1

InChI Key

JBNSVQPLLBNWSI-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03764406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.18

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

3.693

Distribution Coefficient, logD

-1.187

Water Solubility, LogSw

-4.18

Polar Surface Area

43.374

Acid Dissociation Constant (pKa)

35.42

Base Dissociation Constant (pKb)

12.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

7591-0194 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7591-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0194?
Check Price and Availability of 7591-0194, 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 7591-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0194
  • 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 7591-0194 available by request