D412-0424 Screening compound: 5-{[(4-ethylphenyl)amino]methyl}-2-({[4-(propan-2-yl)phenyl]methyl}amino)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D412-0424 Screening compound: 5-{[(4-ethylphenyl)amino]methyl}-2-({[4-(propan-2-yl)phenyl]methyl}amino)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D412-0424 Screening compound: 5-{[(4-ethylphenyl)amino]methyl}-2-({[4-(propan-2-yl)phenyl]methyl}amino)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D412-0424
5-{[(4-ethylphenyl)amino]methyl}-2-({[4-(propan-2-yl)phenyl]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

D412-0424

Molecular Formula

C24H28N6O (C24 H28 N6 O)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1NCC(Nc1nc(NCc2ccc(C(C)C)cc2)nn11)=CC1=O

InChI

InChI=1S/C24H28N6O/c1-4-17-7-11-20(12-8-17)25-15-21-13-22(31)30-24(27-21)28-23(29-30)26-14-18-5-9-19(10-6-18)16(2)3/h5-13,16,25H,4,14-15H2,1-3H3,(H2,26,27,28,29)

InChI Key

BGQFSOIKTKLLND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.956

Distribution Coefficient, logD

4.670

Water Solubility, LogSw

-4.49

Polar Surface Area

73.215

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D412-0424 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D412-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D412-0424?
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What is the minimum amount of D412-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D412-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D412-0424
  • 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 D412-0424 available by request