D205-0117 Screening compound: N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3-methylbutanamide

D205-0117 Screening compound: N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3-methylbutanamide
D205-0117 Screening compound: N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D205-0117
N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3-methylbutanamide

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

D205-0117

Molecular Formula

C12H16ClN5O (C12 H16 ClN5 O)

Compound Name

N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3-methylbutanamide

IUPAC name

N-{6-chloro-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}-3-methylbutanamide

SMILES

CC(C)CC(Nc(nc1nc2C)nn1c(C)c2Cl)=O

InChI

InChI=1S/C12H16ClN5O/c1-6(2)5-9(19)15-11-16-12-14-7(3)10(13)8(4)18(12)17-11/h6H,5H2,1-4H3,(H,15,17,19)

InChI Key

MKSGVILZZUHSTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.74

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

2.148

Distribution Coefficient, logD

2.121

Water Solubility, LogSw

-3.39

Polar Surface Area

55.660

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D205-0117 in Drug Discovery

Included in Screening Libraries

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

Anticancer Library (62698 compounds)

Fragments Library (11262 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
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 D205-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D205-0117?
Check Price and Availability of D205-0117, 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 D205-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D205-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D205-0117
  • 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 D205-0117 available by request