6732-0199 Screening compound: 3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-N-(4-fluorophenyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide

6732-0199 Screening compound: 3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-N-(4-fluorophenyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide
6732-0199 Screening compound: 3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-N-(4-fluorophenyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6732-0199
3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-N-(4-fluorophenyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide

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

6732-0199

Molecular Formula

C20H15FN6O4 (C20 H15 FN6 O4)

Compound Name

3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-N-(4-fluorophenyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide

IUPAC name

3-[(23-dihydro-14-benzodioxin-6-yl)methyl]-N-(4-fluorophenyl)-7-hydroxy-3H-[123]triazolo[45-d]pyrimidine-5-carboxamide

SMILES

Oc1c2nnn(Cc(cc3)cc4c3OCCO4)c2nc(C(Nc(cc2)ccc2F)=O)n1

InChI

InChI=1S/C20H15FN6O4/c21-12-2-4-13(5-3-12)22-20(29)17-23-18-16(19(28)24-17)25-26-27(18)10-11-1-6-14-15(9-11)31-8-7-30-14/h1-6,9H,7-8,10H2,(H,22,29)(H,23,24,28)

InChI Key

AJVAOYMQWZZPEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.182

Distribution Coefficient, logD

-0.662

Water Solubility, LogSw

-2.17

Polar Surface Area

101.740

Acid Dissociation Constant (pKa)

5.56

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

6732-0199 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6732-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6732-0199?
Check Price and Availability of 6732-0199, 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 6732-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6732-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6732-0199
  • 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 6732-0199 available by request