8012-5920 Screening compound: methyl 7,9-dichloro-4-(4-fluorophenyl)-2-(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine-2-carboxylate

8012-5920 Screening compound: methyl 7,9-dichloro-4-(4-fluorophenyl)-2-(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine-2-carboxylate
8012-5920 Screening compound: methyl 7,9-dichloro-4-(4-fluorophenyl)-2-(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5920
methyl 7,9-dichloro-4-(4-fluorophenyl)-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

8012-5920

Molecular Formula

C16H9Cl2F4N3O2 (C16 H9 Cl2 F4 N3 O2)

Compound Name

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

IUPAC name

methyl 79-dichloro-4-(4-fluorophenyl)-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(c(cc2)ccc2F)=N1)=O

InChI

InChI=1S/C16H9Cl2F4N3O2/c1-27-14(26)15(16(20,21)22)23-12(8-2-4-10(19)5-3-8)25-7-9(17)6-11(18)13(25)24-15/h2-7H,1H3/t15-/m1/s1

InChI Key

OPRPTDSXBHGNQI-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD02944953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.17

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

3.827

Distribution Coefficient, logD

-1.052

Water Solubility, LogSw

-4.40

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

18.75

8012-5920 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8012-5920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5920?
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What is the minimum amount of 8012-5920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5920
  • 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 8012-5920 available by request