3214-0039 Screening compound: 2-(2,6-difluorophenyl)-1-hydroxy-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one

3214-0039 Screening compound: 2-(2,6-difluorophenyl)-1-hydroxy-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one
3214-0039 Screening compound: 2-(2,6-difluorophenyl)-1-hydroxy-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3214-0039
2-(2,6-difluorophenyl)-1-hydroxy-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-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

3214-0039

Molecular Formula

C13H9F2N3O2 (C13 H9 F2 N3 O2)

Compound Name

2-(2,6-difluorophenyl)-1-hydroxy-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one

IUPAC name

n/a

SMILES

ON(c(cccc1)c1N1)N(c(c(F)ccc2)c2F)C1=O

InChI

InChI=1S/C13H9F2N3O2/c14-8-4-3-5-9(15)12(8)17-13(19)16-10-6-1-2-7-11(10)18(17)20/h1-7,20H,(H,16,19)

InChI Key

YRUSSZIKBVVQNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.23

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.594

Distribution Coefficient, logD

2.478

Water Solubility, LogSw

-3.18

Polar Surface Area

48.013

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

-4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3214-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3214-0039?
Check Price and Availability of 3214-0039, 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 3214-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3214-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3214-0039
  • 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 3214-0039 available by request