D412-0336 Screening compound: 5-{[(2,4-dimethylphenyl)amino]methyl}-2-{[(2-methoxyphenyl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D412-0336 Screening compound: 5-{[(2,4-dimethylphenyl)amino]methyl}-2-{[(2-methoxyphenyl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D412-0336 Screening compound: 5-{[(2,4-dimethylphenyl)amino]methyl}-2-{[(2-methoxyphenyl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D412-0336
5-{[(2,4-dimethylphenyl)amino]methyl}-2-{[(2-methoxyphenyl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

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

D412-0336

Molecular Formula

C22H24N6O2 (C22 H24 N6 O2)

Compound Name

5-{[(2,4-dimethylphenyl)amino]methyl}-2-{[(2-methoxyphenyl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

5-{[(24-dimethylphenyl)amino]methyl}-2-{[(2-methoxyphenyl)methyl]amino}-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

Cc(cc1)cc(C)c1NCC(Nc1nc(NCc(cccc2)c2OC)nn11)=CC1=O

InChI

InChI=1S/C22H24N6O2/c1-14-8-9-18(15(2)10-14)23-13-17-11-20(29)28-22(25-17)26-21(27-28)24-12-16-6-4-5-7-19(16)30-3/h4-11,23H,12-13H2,1-3H3,(H2,24,25,26,27)

InChI Key

YSSNXRCHUUPQHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.689

Distribution Coefficient, logD

3.403

Water Solubility, LogSw

-3.90

Polar Surface Area

80.148

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D412-0336 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 D412-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D412-0336?
Check Price and Availability of D412-0336, 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 D412-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D412-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D412-0336
  • 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 D412-0336 available by request