D433-1076 Screening compound: N-(4-ethoxyphenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-nitrobenzamide

D433-1076 Screening compound: N-(4-ethoxyphenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-nitrobenzamide
D433-1076 Screening compound: N-(4-ethoxyphenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-1076
N-(4-ethoxyphenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-nitrobenzamide

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

D433-1076

Molecular Formula

C22H20N6O5 (C22 H20 N6 O5)

Compound Name

N-(4-ethoxyphenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-nitrobenzamide

IUPAC name

N-(4-ethoxyphenyl)-N-({5-methyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-2-yl}methyl)-4-nitrobenzamide

SMILES

CCOc(cc1)ccc1N(Cc(nc1NC(C)=C2)nn1C2=O)C(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C22H20N6O5/c1-3-33-18-10-8-16(9-11-18)26(21(30)15-4-6-17(7-5-15)28(31)32)13-19-24-22-23-14(2)12-20(29)27(22)25-19/h4-12H,3,13H2,1-2H3,(H,23,24,25)

InChI Key

DVMWDHPFBBNXPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.695

Distribution Coefficient, logD

0.043

Water Solubility, LogSw

-3.04

Polar Surface Area

107.852

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D433-1076 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 D433-1076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-1076?
Check Price and Availability of D433-1076, 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 D433-1076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-1076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-1076
  • 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 D433-1076 available by request