G851-0697 Screening compound: 3-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-1,2,3-benzotriazin-4(3H)-one

G851-0697 Screening compound: 3-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-1,2,3-benzotriazin-4(3H)-one
G851-0697 Screening compound: 3-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-1,2,3-benzotriazin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G851-0697
3-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-1,2,3-benzotriazin-4(3H)-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

G851-0697

Molecular Formula

C17H13N5O2 (C17 H13 N5 O2)

Compound Name

3-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-1,2,3-benzotriazin-4(3H)-one

IUPAC name

3-{[5-(4-methylphenyl)-124-oxadiazol-3-yl]methyl}-34-dihydro-123-benzotriazin-4-one

SMILES

Cc(cc1)ccc1-c1nc(CN2N=Nc(cccc3)c3C2=O)no1

InChI

InChI=1S/C17H13N5O2/c1-11-6-8-12(9-7-11)16-18-15(20-24-16)10-22-17(23)13-4-2-3-5-14(13)19-21-22/h2-9H,10H2,1H3

InChI Key

MEQQDRSJINQOSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15040580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.320

Distribution Coefficient, logD

3.320

Water Solubility, LogSw

-3.78

Polar Surface Area

73.601

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

G851-0697 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with G851-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G851-0697?
Check Price and Availability of G851-0697, 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 G851-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G851-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G851-0697
  • 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 G851-0697 available by request