D245-0085 Screening compound: 2-{[5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}ethan-1-ol

D245-0085 Screening compound: 2-{[5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}ethan-1-ol
D245-0085 Screening compound: 2-{[5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D245-0085
2-{[5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}ethan-1-ol

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

D245-0085

Molecular Formula

C15H17N5O (C15 H17 N5 O)

Compound Name

2-{[5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}ethan-1-ol

IUPAC name

2-{[5-methyl-2-(4-methylphenyl)-[124]triazolo[15-a]pyrimidin-7-yl]amino}ethan-1-ol

SMILES

Cc(cc1)ccc1-c1nn2c(NCCO)cc(C)nc2n1

InChI

InChI=1S/C15H17N5O/c1-10-3-5-12(6-4-10)14-18-15-17-11(2)9-13(16-7-8-21)20(15)19-14/h3-6,9,16,21H,7-8H2,1-2H3

InChI Key

VQZRNEHOSDOLLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.173

Distribution Coefficient, logD

2.094

Water Solubility, LogSw

-2.03

Polar Surface Area

57.931

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D245-0085 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

BRD4 Targeted Library (4534 compounds)

Fragments Library (11262 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:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands
Targets:
  • Others
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D245-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D245-0085?
Check Price and Availability of D245-0085, 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 D245-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D245-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D245-0085
  • 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 D245-0085 available by request