D412-0485 Screening compound: 5-{[(2,6-dimethylphenyl)amino]methyl}-2-{[(4-ethylphenyl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D412-0485 Screening compound: 5-{[(2,6-dimethylphenyl)amino]methyl}-2-{[(4-ethylphenyl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D412-0485 Screening compound: 5-{[(2,6-dimethylphenyl)amino]methyl}-2-{[(4-ethylphenyl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D412-0485
5-{[(2,6-dimethylphenyl)amino]methyl}-2-{[(4-ethylphenyl)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

D412-0485

Molecular Formula

C23H26N6O (C23 H26 N6 O)

Compound Name

5-{[(2,6-dimethylphenyl)amino]methyl}-2-{[(4-ethylphenyl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

5-{[(26-dimethylphenyl)amino]methyl}-2-{[(4-ethylphenyl)methyl]amino}-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

CCc1ccc(CNc(nc2NC(CNc3c(C)cccc3C)=C3)nn2C3=O)cc1

InChI

InChI=1S/C23H26N6O/c1-4-17-8-10-18(11-9-17)13-25-22-27-23-26-19(12-20(30)29(23)28-22)14-24-21-15(2)6-5-7-16(21)3/h5-12,24H,4,13-14H2,1-3H3,(H2,25,26,27,28)

InChI Key

WSYJPYFZHPGVHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.906

Distribution Coefficient, logD

3.620

Water Solubility, LogSw

-3.94

Polar Surface Area

71.820

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with D412-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D412-0485?
Check Price and Availability of D412-0485, 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 D412-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D412-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D412-0485
  • 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 D412-0485 available by request