G851-0704 Screening compound: 3-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-1,2,3-benzotriazin-4(3H)-one

G851-0704 Screening compound: 3-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-1,2,3-benzotriazin-4(3H)-one
G851-0704 Screening compound: 3-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-1,2,3-benzotriazin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G851-0704
3-{[5-(3-chlorophenyl)-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

G851-0704

Molecular Formula

C16H10ClN5O2 (C16 H10 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(Cc2noc(-c3cccc(Cl)c3)n2)N=Nc2c1cccc2

InChI

InChI=1S/C16H10ClN5O2/c17-11-5-3-4-10(8-11)15-18-14(20-24-15)9-22-16(23)12-6-1-2-7-13(12)19-21-22/h1-8H,9H2

InChI Key

QYJGNLWNPCWYMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15040585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.74

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

3.479

Distribution Coefficient, logD

3.479

Water Solubility, LogSw

-3.89

Polar Surface Area

73.601

Acid Dissociation Constant (pKa)

29.11

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

G851-0704 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G851-0704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G851-0704?
Check Price and Availability of G851-0704, 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 G851-0704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G851-0704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G851-0704
  • 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 G851-0704 available by request