D205-0387 Screening compound: 4-tert-butyl-N-{7-hydroxy-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide

D205-0387 Screening compound: 4-tert-butyl-N-{7-hydroxy-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide
D205-0387 Screening compound: 4-tert-butyl-N-{7-hydroxy-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D205-0387
4-tert-butyl-N-{7-hydroxy-5-propyl-[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

D205-0387

Molecular Formula

C19H23N5O2 (C19 H23 N5 O2)

Compound Name

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

IUPAC name

4-tert-butyl-N-{7-hydroxy-5-propyl-[124]triazolo[15-a]pyrimidin-2-yl}benzamide

SMILES

CCCc1nc2nc(NC(c3ccc(C(C)(C)C)cc3)=O)nn2c(O)c1

InChI

InChI=1S/C19H23N5O2/c1-5-6-14-11-15(25)24-18(20-14)22-17(23-24)21-16(26)12-7-9-13(10-8-12)19(2,3)4/h7-11,25H,5-6H2,1-4H3,(H,21,23,26)

InChI Key

WYIUNTKRKGMZBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07795111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.049

Distribution Coefficient, logD

2.834

Water Solubility, LogSw

-3.91

Polar Surface Area

72.244

Acid Dissociation Constant (pKa)

6.21

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

D205-0387 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Purinergic Library (3321 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D205-0387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D205-0387?
Check Price and Availability of D205-0387, 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 D205-0387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D205-0387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D205-0387
  • 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 D205-0387 available by request