D245-0354 Screening compound: N1,N1-dimethyl-N4-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diamine

D245-0354 Screening compound: N1,N1-dimethyl-N4-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diamine
D245-0354 Screening compound: N1,N1-dimethyl-N4-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D245-0354
N1,N1-dimethyl-N4-[5-methyl-2-(2-methylphenyl)-[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

D245-0354

Molecular Formula

C21H22N6 (C21 H22 N6)

Compound Name

N1,N1-dimethyl-N4-[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diamine

IUPAC name

N1N1-dimethyl-N4-[5-methyl-2-(2-methylphenyl)-[124]triazolo[15-a]pyrimidin-7-yl]benzene-14-diamine

SMILES

Cc(cccc1)c1-c1nn2c(Nc(cc3)ccc3N(C)C)cc(C)nc2n1

InChI

InChI=1S/C21H22N6/c1-14-7-5-6-8-18(14)20-24-21-22-15(2)13-19(27(21)25-20)23-16-9-11-17(12-10-16)26(3)4/h5-13,23H,1-4H3

InChI Key

DBTWZZILEQTYTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.309

Distribution Coefficient, logD

4.233

Water Solubility, LogSw

-4.44

Polar Surface Area

42.645

Acid Dissociation Constant (pKa)

17.09

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D245-0354 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein-Protein Interaction Library (218420 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 D245-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D245-0354?
Check Price and Availability of D245-0354, 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 D245-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D245-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D245-0354
  • 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 D245-0354 available by request