D433-0530 Screening compound: N-butyl-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-3-nitrobenzamide

D433-0530 Screening compound: N-butyl-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-3-nitrobenzamide
D433-0530 Screening compound: N-butyl-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-0530
N-butyl-N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-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

D433-0530

Molecular Formula

C19H22N6O3 (C19 H22 N6 O3)

Compound Name

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

IUPAC name

N-butyl-N-({57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}methyl)-3-nitrobenzamide

SMILES

CCCCN(Cc1nn2c(C)cc(C)nc2n1)C(c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C19H22N6O3/c1-4-5-9-23(18(26)15-7-6-8-16(11-15)25(27)28)12-17-21-19-20-13(2)10-14(3)24(19)22-17/h6-8,10-11H,4-5,9,12H2,1-3H3

InChI Key

VMAIEUCMGFFMIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27585864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.373

Distribution Coefficient, logD

2.373

Water Solubility, LogSw

-2.68

Polar Surface Area

81.391

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with D433-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-0530?
Check Price and Availability of D433-0530, 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 D433-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-0530
  • 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 D433-0530 available by request