8195-0052 Screening compound: N1,N1-diethyl-3-methyl-N4-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzene-1,4-diamine

8195-0052 Screening compound: N1,N1-diethyl-3-methyl-N4-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzene-1,4-diamine
8195-0052 Screening compound: N1,N1-diethyl-3-methyl-N4-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzene-1,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8195-0052
N1,N1-diethyl-3-methyl-N4-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzene-1,4-diamine

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

8195-0052

Molecular Formula

C17H22N6 (C17 H22 N6)

Compound Name

N1,N1-diethyl-3-methyl-N4-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzene-1,4-diamine

IUPAC name

N1N1-diethyl-3-methyl-N4-{5-methyl-[124]triazolo[15-a]pyrimidin-7-yl}benzene-14-diamine

SMILES

CCN(CC)c(cc1)cc(C)c1Nc1cc(C)nc2ncnn12

InChI

InChI=1S/C17H22N6/c1-5-22(6-2)14-7-8-15(12(3)9-14)21-16-10-13(4)20-17-18-11-19-23(16)17/h7-11,21H,5-6H2,1-4H3

InChI Key

POPSLWOPUIQQPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07395915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.130

Distribution Coefficient, logD

2.874

Water Solubility, LogSw

-2.85

Polar Surface Area

43.091

Acid Dissociation Constant (pKa)

16.28

Base Dissociation Constant (pKb)

7.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

8195-0052 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8195-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8195-0052?
Check Price and Availability of 8195-0052, 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 8195-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8195-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8195-0052
  • 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 8195-0052 available by request