Y501-8130 Screening compound: (5-amino-1H-1,2,4-triazol-1-yl){5-[(4-nitrophenoxy)methyl]-2-furyl}methanone

Y501-8130 Screening compound: (5-amino-1H-1,2,4-triazol-1-yl){5-[(4-nitrophenoxy)methyl]-2-furyl}methanone

Chemical Structure Depiction of ChemDiv screening compound Y501-8130
(5-amino-1H-1,2,4-triazol-1-yl){5-[(4-nitrophenoxy)methyl]-2-furyl}methanone

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

Y501-8130

Molecular Formula

C14H11N5O5 (C14 H11 N5 O5)

Compound Name

(5-amino-1H-1,2,4-triazol-1-yl){5-[(4-nitrophenoxy)methyl]-2-furyl}methanone

IUPAC name

1-{5-[(4-nitrophenoxy)methyl]furan-2-carbonyl}-1H-124-triazol-5-amine

SMILES

Nc1ncnn1C(c1ccc(COc(cc2)ccc2[N+]([O-])=O)o1)=O

InChI

InChI=1S/C14H11N5O5/c15-14-16-8-17-18(14)13(20)12-6-5-11(24-12)7-23-10-3-1-9(2-4-10)19(21)22/h1-6,8H,7H2,(H2,15,16,17)

InChI Key

QJRRBUPMUIWFHK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.27

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.398

Distribution Coefficient, logD

1.398

Water Solubility, LogSw

-1.96

Polar Surface Area

107.510

Acid Dissociation Constant (pKa)

18.10

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

Y501-8130 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 Y501-8130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-8130?
Check Price and Availability of Y501-8130, 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 Y501-8130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-8130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-8130
  • 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 Y501-8130 available by request