D205-0158 Screening compound: 4-tert-butyl-N-{7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide

D205-0158 Screening compound: 4-tert-butyl-N-{7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide
D205-0158 Screening compound: 4-tert-butyl-N-{7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D205-0158
4-tert-butyl-N-{7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide

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

D205-0158

Molecular Formula

C17H19N5O (C17 H19 N5 O)

Compound Name

4-tert-butyl-N-{7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide

IUPAC name

4-tert-butyl-N-{7-methyl-[124]triazolo[15-a]pyrimidin-2-yl}benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc1nn2c(C)ccnc2n1)=O

InChI

InChI=1S/C17H19N5O/c1-11-9-10-18-16-20-15(21-22(11)16)19-14(23)12-5-7-13(8-6-12)17(2,3)4/h5-10H,1-4H3,(H,19,21,23)

InChI Key

BMQRVPIPQKPLOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.046

Distribution Coefficient, logD

2.974

Water Solubility, LogSw

-3.27

Polar Surface Area

55.681

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

D205-0158 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

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

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D205-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D205-0158?
Check Price and Availability of D205-0158, 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 D205-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D205-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D205-0158
  • 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 D205-0158 available by request