8020-2533 Screening compound: 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(trifluoromethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one

8020-2533 Screening compound: 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(trifluoromethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
8020-2533 Screening compound: 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(trifluoromethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2533
7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(trifluoromethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one

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

8020-2533

Molecular Formula

C17H10F3N5O3 (C17 H10 F3 N5 O3)

Compound Name

7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(trifluoromethyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one

IUPAC name

11-(23-dihydro-14-benzodioxin-6-yl)-4-(trifluoromethyl)-235711-pentaazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-10-one

SMILES

O=C(c1c(C=C2)n3nc(C(F)(F)F)nc3nc1)N2c(cc1)cc2c1OCCO2

InChI

InChI=1S/C17H10F3N5O3/c18-17(19,20)15-22-16-21-8-10-11(25(16)23-15)3-4-24(14(10)26)9-1-2-12-13(7-9)28-6-5-27-12/h1-4,7-8H,5-6H2

InChI Key

YDXPDXYZOYKNBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13872409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.274

Distribution Coefficient, logD

1.274

Water Solubility, LogSw

-2.07

Polar Surface Area

66.186

Acid Dissociation Constant (pKa)

30.69

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

References: we are preparing a list of scientific research reports with 8020-2533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2533?
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What is the minimum amount of 8020-2533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2533
  • 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 8020-2533 available by request