6321-0546 Screening compound: 5-(4-methoxyphenyl)-7-[4-(propan-2-yl)phenyl]-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

6321-0546 Screening compound: 5-(4-methoxyphenyl)-7-[4-(propan-2-yl)phenyl]-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
6321-0546 Screening compound: 5-(4-methoxyphenyl)-7-[4-(propan-2-yl)phenyl]-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6321-0546
5-(4-methoxyphenyl)-7-[4-(propan-2-yl)phenyl]-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

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

6321-0546

Molecular Formula

C21H25N5O (C21 H25 N5 O)

Compound Name

5-(4-methoxyphenyl)-7-[4-(propan-2-yl)phenyl]-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

IUPAC name

(5S7R)-5-(4-methoxyphenyl)-7-[4-(propan-2-yl)phenyl]-4H5H6H7H-[124]triazolo[15-a]pyrimidin-2-amine

SMILES

CC(C)c1ccc([C@H](C2)n3nc(N)nc3N[C@H]2c(cc2)ccc2OC)cc1

InChI

InChI=1S/C21H25N5O/c1-13(2)14-4-6-16(7-5-14)19-12-18(15-8-10-17(27-3)11-9-15)23-21-24-20(22)25-26(19)21/h4-11,13,18-19H,12H2,1-3H3,(H3,22,23,24,25)/t18-,19-/m1/s1

InChI Key

CCLCHJWMULQKNG-RTBURBONSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.412

Distribution Coefficient, logD

4.325

Water Solubility, LogSw

-4.44

Polar Surface Area

66.138

Acid Dissociation Constant (pKa)

15.42

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

6321-0546 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 6321-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6321-0546?
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What is the minimum amount of 6321-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6321-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6321-0546
  • 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 6321-0546 available by request