Y505-2810 Screening compound: N~7~-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-5-(3-NITROPHENYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-7-CARBOXAMIDE

Y505-2810 Screening compound: N~7~-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-5-(3-NITROPHENYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-7-CARBOXAMIDE
Y505-2810 Screening compound: N~7~-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-5-(3-NITROPHENYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-7-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound Y505-2810
N~7~-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-5-(3-NITROPHENYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-7-CARBOXAMIDE

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

Y505-2810

Molecular Formula

C21H15N7O3S (C21 H15 N7 O3 S)

Compound Name

N~7~-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-5-(3-NITROPHENYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-7-CARBOXAMIDE

IUPAC name

n/a

SMILES

N#Cc1c(NC(c2cc(-c3cc([N+]([O-])=O)ccc3)nc3ncnn23)=O)sc2c1CCCC2

InChI

InChI=1S/C21H15N7O3S/c22-10-15-14-6-1-2-7-18(14)32-20(15)26-19(29)17-9-16(25-21-23-11-24-27(17)21)12-4-3-5-13(8-12)28(30)31/h3-5,8-9,11H,1-2,6-7H2,(H,26,29)

InChI Key

NEVUXTBVOFBFII-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.887

Distribution Coefficient, logD

2.365

Water Solubility, LogSw

-4.38

Polar Surface Area

103.966

Acid Dissociation Constant (pKa)

5.89

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with Y505-2810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y505-2810?
Check Price and Availability of Y505-2810, 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 Y505-2810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y505-2810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y505-2810
  • 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 Y505-2810 available by request