6321-0218 Screening compound: 7-(3-bromophenyl)-5-(4-methylphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

6321-0218 Screening compound: 7-(3-bromophenyl)-5-(4-methylphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine
6321-0218 Screening compound: 7-(3-bromophenyl)-5-(4-methylphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6321-0218
7-(3-bromophenyl)-5-(4-methylphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

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

6321-0218

Molecular Formula

C18H17BrN4 (C18 H17 BrN4)

Compound Name

7-(3-bromophenyl)-5-(4-methylphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

(5S7R)-7-(3-bromophenyl)-5-(4-methylphenyl)-4H5H6H7H-[124]triazolo[15-a]pyrimidine

SMILES

Cc1ccc([C@@H](C2)Nc3ncnn3[C@@H]2c2cccc(Br)c2)cc1

InChI

InChI=1S/C18H17BrN4/c1-12-5-7-13(8-6-12)16-10-17(14-3-2-4-15(19)9-14)23-18(22-16)20-11-21-23/h2-9,11,16-17H,10H2,1H3,(H,20,21,22)/t16-,17-/m0/s1

InChI Key

LCLDSGONTIXIQG-IRXDYDNUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.26

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.677

Distribution Coefficient, logD

4.676

Water Solubility, LogSw

-4.42

Polar Surface Area

39.069

Acid Dissociation Constant (pKa)

15.42

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

6321-0218 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 6321-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6321-0218?
Check Price and Availability of 6321-0218, 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 6321-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6321-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6321-0218
  • 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 6321-0218 available by request