D433-1030 Screening compound: N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-(3-methylphenyl)-3-nitrobenzamide

D433-1030 Screening compound: N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-(3-methylphenyl)-3-nitrobenzamide
D433-1030 Screening compound: N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-(3-methylphenyl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-1030
N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-(3-methylphenyl)-3-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

D433-1030

Molecular Formula

C21H18N6O4 (C21 H18 N6 O4)

Compound Name

N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-(3-methylphenyl)-3-nitrobenzamide

IUPAC name

N-({5-methyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-2-yl}methyl)-N-(3-methylphenyl)-3-nitrobenzamide

SMILES

Cc1cccc(N(Cc(nc2NC(C)=C3)nn2C3=O)C(c2cccc([N+]([O-])=O)c2)=O)c1

InChI

InChI=1S/C21H18N6O4/c1-13-5-3-7-16(9-13)25(20(29)15-6-4-8-17(11-15)27(30)31)12-18-23-21-22-14(2)10-19(28)26(21)24-18/h3-11H,12H2,1-2H3,(H,22,23,24)

InChI Key

QVTSAROMMCQVEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27585998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.41

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

2.736

Distribution Coefficient, logD

0.083

Water Solubility, LogSw

-3.15

Polar Surface Area

100.728

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with D433-1030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-1030?
Check Price and Availability of D433-1030, 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 D433-1030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-1030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-1030
  • 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 D433-1030 available by request