D433-0030 Screening compound: N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-(4-methylphenyl)-3-nitrobenzamide

D433-0030 Screening compound: N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-(4-methylphenyl)-3-nitrobenzamide
D433-0030 Screening compound: N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-(4-methylphenyl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-0030
N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-(4-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

D433-0030

Molecular Formula

C22H20N6O3 (C22 H20 N6 O3)

Compound Name

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

IUPAC name

N-({57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}methyl)-N-(4-methylphenyl)-3-nitrobenzamide

SMILES

Cc(cc1)ccc1N(Cc1nn2c(C)cc(C)nc2n1)C(c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C22H20N6O3/c1-14-7-9-18(10-8-14)26(21(29)17-5-4-6-19(12-17)28(30)31)13-20-24-22-23-15(2)11-16(3)27(22)25-20/h4-12H,13H2,1-3H3

InChI Key

HSQUWXAFUIAFSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27585687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.199

Distribution Coefficient, logD

3.199

Water Solubility, LogSw

-3.24

Polar Surface Area

80.553

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with D433-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-0030?
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What is the minimum amount of D433-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-0030
  • 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 D433-0030 available by request