8539-0487 Screening compound: 9-CHLORO-3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE

8539-0487 Screening compound: 9-CHLORO-3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE
8539-0487 Screening compound: 9-CHLORO-3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 8539-0487
9-CHLORO-3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-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

8539-0487

Molecular Formula

C10H8ClN3O2 (C10 H8 ClN3 O2)

Compound Name

9-CHLORO-3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE

IUPAC name

n/a

SMILES

O=C(C1)NN=C2N1c(cc(cc1)Cl)c1OC2

InChI

InChI=1S/C10H8ClN3O2/c11-6-1-2-8-7(3-6)14-4-10(15)13-12-9(14)5-16-8/h1-3H,4-5H2,(H,13,15)

InChI Key

PQVKHHQTUSMCTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.65

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.177

Distribution Coefficient, logD

-2.068

Water Solubility, LogSw

-2.62

Polar Surface Area

49.292

Acid Dissociation Constant (pKa)

15.14

Base Dissociation Constant (pKb)

10.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.00

8539-0487 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8539-0487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8539-0487?
Check Price and Availability of 8539-0487, 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 8539-0487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8539-0487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8539-0487
  • 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 8539-0487 available by request