6321-0549 Screening compound: 5-(4-ethylphenyl)-7-[4-(propan-2-yl)phenyl]-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

6321-0549 Screening compound: 5-(4-ethylphenyl)-7-[4-(propan-2-yl)phenyl]-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
6321-0549 Screening compound: 5-(4-ethylphenyl)-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 6321-0549
5-(4-ethylphenyl)-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

6321-0549

Molecular Formula

C22H27N5 (C22 H27 N5)

Compound Name

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

SMILES

CCc1ccc([C@@H](C2)Nc3nc(N)nn3[C@@H]2c2ccc(C(C)C)cc2)cc1

InChI

InChI=1S/C22H27N5/c1-4-15-5-7-17(8-6-15)19-13-20(27-22(24-19)25-21(23)26-27)18-11-9-16(10-12-18)14(2)3/h5-12,14,19-20H,4,13H2,1-3H3,(H3,23,24,25,26)/t19-,20-/m0/s1

InChI Key

DABDVISHFGQJMK-PMACEKPBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.49

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.360

Distribution Coefficient, logD

5.274

Water Solubility, LogSw

-5.53

Polar Surface Area

58.594

Acid Dissociation Constant (pKa)

15.42

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

6321-0549 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Lipid Metabolism Library (9174 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
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 6321-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6321-0549?
Check Price and Availability of 6321-0549, 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 6321-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6321-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6321-0549
  • 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 6321-0549 available by request