D205-0126 Screening compound: N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-phenylbutanamide

D205-0126 Screening compound: N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-phenylbutanamide
D205-0126 Screening compound: N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D205-0126
N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-2-phenylbutanamide

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

D205-0126

Molecular Formula

C17H18ClN5O (C17 H18 ClN5 O)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(Nc(nc1nc2C)nn1c(C)c2Cl)=O)c1ccccc1

InChI

InChI=1S/C17H18ClN5O/c1-4-13(12-8-6-5-7-9-12)15(24)20-16-21-17-19-10(2)14(18)11(3)23(17)22-16/h5-9,13H,4H2,1-3H3,(H,20,22,24)/t13-/m1/s1

InChI Key

RIIMWLGCIRDEIE-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD14813906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.356

Distribution Coefficient, logD

3.238

Water Solubility, LogSw

-4.09

Polar Surface Area

55.601

Acid Dissociation Constant (pKa)

7.91

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

D205-0126 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

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 D205-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D205-0126?
Check Price and Availability of D205-0126, 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 D205-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D205-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D205-0126
  • 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 D205-0126 available by request