D412-0174 Screening compound: 2-{[(2-chlorophenyl)methyl]amino}-5-{[(4-ethylphenyl)amino]methyl}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D412-0174 Screening compound: 2-{[(2-chlorophenyl)methyl]amino}-5-{[(4-ethylphenyl)amino]methyl}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D412-0174 Screening compound: 2-{[(2-chlorophenyl)methyl]amino}-5-{[(4-ethylphenyl)amino]methyl}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D412-0174
2-{[(2-chlorophenyl)methyl]amino}-5-{[(4-ethylphenyl)amino]methyl}-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

D412-0174

Molecular Formula

C21H21ClN6O (C21 H21 ClN6 O)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1NCC(Nc1nc(NCc(cccc2)c2Cl)nn11)=CC1=O

InChI

InChI=1S/C21H21ClN6O/c1-2-14-7-9-16(10-8-14)23-13-17-11-19(29)28-21(25-17)26-20(27-28)24-12-15-5-3-4-6-18(15)22/h3-11,23H,2,12-13H2,1H3,(H2,24,25,26,27)

InChI Key

AZDXGTMMCFZCEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.89

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

4.400

Distribution Coefficient, logD

4.114

Water Solubility, LogSw

-4.33

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

19.00

References: we are preparing a list of scientific research reports with D412-0174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D412-0174?
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What is the minimum amount of D412-0174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D412-0174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D412-0174
  • 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 D412-0174 available by request