Y502-7068 Screening compound: 2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazoline

Y502-7068 Screening compound: 2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazoline
Y502-7068 Screening compound: 2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-7068
2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazoline

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

Y502-7068

Molecular Formula

C13H10N8O2 (C13 H10 N8 O2)

Compound Name

2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazoline

IUPAC name

3-nitro-1-(2-{[124]triazolo[15-c]quinazolin-2-yl}ethyl)-1H-124-triazole

SMILES

[O-][N+](c1nn(CCc2nn(cnc3c4cccc3)c4n2)cn1)=O

InChI

InChI=1S/C13H10N8O2/c22-21(23)13-15-7-19(18-13)6-5-11-16-12-9-3-1-2-4-10(9)14-8-20(12)17-11/h1-4,7-8H,5-6H2

InChI Key

VKBCXBKITRCZMG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.901

Distribution Coefficient, logD

0.789

Water Solubility, LogSw

-1.66

Polar Surface Area

87.366

Acid Dissociation Constant (pKa)

26.51

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

Y502-7068 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y502-7068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-7068?
Check Price and Availability of Y502-7068, 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 Y502-7068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-7068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-7068
  • 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 Y502-7068 available by request