F018-3428 Screening compound: 7-(2-furyl)-2-[(5-methyl-1H-pyrazol-1-yl)methyl]-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

F018-3428 Screening compound: 7-(2-furyl)-2-[(5-methyl-1H-pyrazol-1-yl)methyl]-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
F018-3428 Screening compound: 7-(2-furyl)-2-[(5-methyl-1H-pyrazol-1-yl)methyl]-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound F018-3428
7-(2-furyl)-2-[(5-methyl-1H-pyrazol-1-yl)methyl]-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

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

F018-3428

Molecular Formula

C20H12F3N7OS (C20 H12 F3 N7 OS)

Compound Name

7-(2-furyl)-2-[(5-methyl-1H-pyrazol-1-yl)methyl]-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

11-(furan-2-yl)-4-[(5-methyl-1H-pyrazol-1-yl)methyl]-13-(trifluoromethyl)-16-thia-356814-pentaazatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(9)24710(15)1113-heptaene

SMILES

Cc1ccnn1Cc1nn(cnc2c3sc4nc(C(F)(F)F)cc(-c5ccco5)c24)c3n1

InChI

InChI=1S/C20H12F3N7OS/c1-10-4-5-25-29(10)8-14-27-18-17-16(24-9-30(18)28-14)15-11(12-3-2-6-31-12)7-13(20(21,22)23)26-19(15)32-17/h2-7,9H,8H2,1H3

InChI Key

SJVPMWDJEHSDQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08555849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.501

Distribution Coefficient, logD

3.498

Water Solubility, LogSw

-3.87

Polar Surface Area

63.853

Acid Dissociation Constant (pKa)

28.56

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

F018-3428 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F018-3428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F018-3428?
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What is the minimum amount of F018-3428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F018-3428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F018-3428
  • 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 F018-3428 available by request