8017-5280 Screening compound: 6-(2-fluorophenyl)-4-methyl-6,9-dihydropyrido[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine-5,8(4H,7H)-dione

8017-5280 Screening compound: 6-(2-fluorophenyl)-4-methyl-6,9-dihydropyrido[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine-5,8(4H,7H)-dione
8017-5280 Screening compound: 6-(2-fluorophenyl)-4-methyl-6,9-dihydropyrido[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine-5,8(4H,7H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5280
6-(2-fluorophenyl)-4-methyl-6,9-dihydropyrido[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine-5,8(4H,7H)-dione

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

8017-5280

Molecular Formula

C15H12FN5O2 (C15 H12 FN5 O2)

Compound Name

6-(2-fluorophenyl)-4-methyl-6,9-dihydropyrido[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine-5,8(4H,7H)-dione

IUPAC name

10-(2-fluorophenyl)-7-methyl-235713-pentaazatricyclo[7.4.0.0^{26}]trideca-1(9)35-triene-812-dione

SMILES

CN(c1ncnn1C(NC(C1)=O)=C2C1c(cccc1)c1F)C2=O

InChI

InChI=1S/C15H12FN5O2/c1-20-14(23)12-9(8-4-2-3-5-10(8)16)6-11(22)19-13(12)21-15(20)17-7-18-21/h2-5,7,9H,6H2,1H3,(H,19,22)/t9-/m0/s1

InChI Key

FNCZUPPRBWIQAD-VIFPVBQESA-N

MDL Number (MFCD)

MFCD06017637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.768

Distribution Coefficient, logD

0.768

Water Solubility, LogSw

-1.84

Polar Surface Area

63.767

Acid Dissociation Constant (pKa)

10.58

Base Dissociation Constant (pKb)

-4.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8017-5280 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

BRD4 Targeted Library (4534 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8017-5280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5280?
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What is the minimum amount of 8017-5280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5280
  • 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 8017-5280 available by request