D205-0113 Screening compound: 4-tert-butyl-N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide

D205-0113 Screening compound: 4-tert-butyl-N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide
D205-0113 Screening compound: 4-tert-butyl-N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D205-0113
4-tert-butyl-N-{6-chloro-5,7-dimethyl-[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

D205-0113

Molecular Formula

C18H20ClN5O (C18 H20 ClN5 O)

Compound Name

4-tert-butyl-N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}benzamide

IUPAC name

4-tert-butyl-N-{6-chloro-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc(nc1nc2C)nn1c(C)c2Cl)=O

InChI

InChI=1S/C18H20ClN5O/c1-10-14(19)11(2)24-17(20-10)22-16(23-24)21-15(25)12-6-8-13(9-7-12)18(3,4)5/h6-9H,1-5H3,(H,21,23,25)

InChI Key

LOTPXGISSMIVSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.84

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

4.187

Distribution Coefficient, logD

3.871

Water Solubility, LogSw

-4.62

Polar Surface Area

55.601

Acid Dissociation Constant (pKa)

7.37

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D205-0113 in Drug Discovery

Included in Screening Libraries

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

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

Purinergic Library (3321 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D205-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D205-0113?
Check Price and Availability of D205-0113, 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 D205-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D205-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D205-0113
  • 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 D205-0113 available by request