C850-0537 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-amine

C850-0537 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-amine
C850-0537 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C850-0537
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-amine

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

C850-0537

Molecular Formula

C16H12N6O2 (C16 H12 N6 O2)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-amine

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-[1234]tetrazolo[15-a]quinoxalin-4-amine

SMILES

C1Oc(ccc(Nc2nc(cccc3)c3n3nnnc23)c2)c2OC1

InChI

InChI=1S/C16H12N6O2/c1-2-4-12-11(3-1)18-15(16-19-20-21-22(12)16)17-10-5-6-13-14(9-10)24-8-7-23-13/h1-6,9H,7-8H2,(H,17,18)

InChI Key

GBGHHKBSWVXCMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.736

Distribution Coefficient, logD

1.734

Water Solubility, LogSw

-2.07

Polar Surface Area

70.200

Acid Dissociation Constant (pKa)

18.15

Base Dissociation Constant (pKb)

5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C850-0537 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C850-0537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C850-0537?
Check Price and Availability of C850-0537, 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 C850-0537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C850-0537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C850-0537
  • 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 C850-0537 available by request