K784-5800 Screening compound: 5,7-dimethyl-6-[(2-methylphenyl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-a]pyrimidine

K784-5800 Screening compound: 5,7-dimethyl-6-[(2-methylphenyl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-a]pyrimidine
K784-5800 Screening compound: 5,7-dimethyl-6-[(2-methylphenyl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5800
5,7-dimethyl-6-[(2-methylphenyl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}-[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

K784-5800

Molecular Formula

C22H21N5O2S (C22 H21 N5 O2 S)

Compound Name

5,7-dimethyl-6-[(2-methylphenyl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

57-dimethyl-6-[(2-methylphenyl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}-[124]triazolo[15-a]pyrimidine

SMILES

Cc1c(Cc(c(C)nc2n3)c(C)n2nc3SCc(cc2)ccc2[N+]([O-])=O)cccc1

InChI

InChI=1S/C22H21N5O2S/c1-14-6-4-5-7-18(14)12-20-15(2)23-21-24-22(25-26(21)16(20)3)30-13-17-8-10-19(11-9-17)27(28)29/h4-11H,12-13H2,1-3H3

InChI Key

AVQSTJDBCRJOIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.029

Distribution Coefficient, logD

5.029

Water Solubility, LogSw

-4.84

Polar Surface Area

62.936

Acid Dissociation Constant (pKa)

20.91

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

K784-5800 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K784-5800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5800?
Check Price and Availability of K784-5800, 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 K784-5800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5800
  • 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 K784-5800 available by request