D433-0001 Screening compound: N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-methylaniline

D433-0001 Screening compound: N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-methylaniline
D433-0001 Screening compound: N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-methylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-0001
N-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-methylaniline

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

D433-0001

Molecular Formula

C15H17N5 (C15 H17 N5)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NCc1nn2c(C)cc(C)nc2n1

InChI

InChI=1S/C15H17N5/c1-10-4-6-13(7-5-10)16-9-14-18-15-17-11(2)8-12(3)20(15)19-14/h4-8,16H,9H2,1-3H3

InChI Key

XAOOFDQJAYNWOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27585671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.306

Distribution Coefficient, logD

2.306

Water Solubility, LogSw

-2.21

Polar Surface Area

42.055

Acid Dissociation Constant (pKa)

19.37

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D433-0001 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D433-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-0001?
Check Price and Availability of D433-0001, 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 D433-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-0001
  • 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 D433-0001 available by request