5228-4343 Screening compound: 3-[7-(2-chlorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol

5228-4343 Screening compound: 3-[7-(2-chlorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol
5228-4343 Screening compound: 3-[7-(2-chlorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5228-4343
3-[7-(2-chlorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol

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

5228-4343

Molecular Formula

C21H21ClN4O (C21 H21 ClN4 O)

Compound Name

3-[7-(2-chlorophenyl)-5-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol

IUPAC name

3-[7-(2-chlorophenyl)-5-(4-methylphenyl)-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]propan-1-ol

SMILES

Cc(cc1)ccc1C1=CC(c(cccc2)c2Cl)n2nc(CCCO)nc2N1

InChI

InChI=1S/C21H21ClN4O/c1-14-8-10-15(11-9-14)18-13-19(16-5-2-3-6-17(16)22)26-21(23-18)24-20(25-26)7-4-12-27/h2-3,5-6,8-11,13,19,27H,4,7,12H2,1H3,(H,23,24,25)/t19-/m0/s1

InChI Key

MXZWBUVVDUZXKL-IBGZPJMESA-N

MDL Number (MFCD)

MFCD04440829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.88

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.330

Distribution Coefficient, logD

4.320

Water Solubility, LogSw

-4.40

Polar Surface Area

55.305

Acid Dissociation Constant (pKa)

9.02

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

5228-4343 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5228-4343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5228-4343?
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What is the minimum amount of 5228-4343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5228-4343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5228-4343
  • 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 5228-4343 available by request