D045-0012 Screening compound: 1-hydroxy-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one

D045-0012 Screening compound: 1-hydroxy-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one
D045-0012 Screening compound: 1-hydroxy-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D045-0012
1-hydroxy-2-(3-hydroxyphenyl)-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

D045-0012

Molecular Formula

C13H11N3O3 (C13 H11 N3 O3)

Compound Name

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

IUPAC name

1-hydroxy-2-(3-hydroxyphenyl)-1234-tetrahydro-124-benzotriazin-3-one

SMILES

Oc1cccc(N(C(Nc2c3cccc2)=O)N3O)c1

InChI

InChI=1S/C13H11N3O3/c17-10-5-3-4-9(8-10)15-13(18)14-11-6-1-2-7-12(11)16(15)19/h1-8,17,19H,(H,14,18)

InChI Key

MYVXKAPAJFFMSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.969

Distribution Coefficient, logD

1.854

Water Solubility, LogSw

-2.38

Polar Surface Area

66.232

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with D045-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D045-0012?
Check Price and Availability of D045-0012, 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 D045-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D045-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D045-0012
  • 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 D045-0012 available by request