C561-1718 Screening compound: methyl 2-(3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)-3-methylbutanoate

C561-1718 Screening compound: methyl 2-(3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)-3-methylbutanoate
C561-1718 Screening compound: methyl 2-(3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1718
methyl 2-(3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)-3-methylbutanoate

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

C561-1718

Molecular Formula

C16H23N5O3 (C16 H23 N5 O3)

Compound Name

methyl 2-(3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)-3-methylbutanoate

IUPAC name

methyl 2-(3-{57-dimethyl-[124]triazolo[15-a]pyrimidin-6-yl}propanamido)-3-methylbutanoate

SMILES

CC(C)C(C(OC)=O)NC(CCc1c(C)n2ncnc2nc1C)=O

InChI

InChI=1S/C16H23N5O3/c1-9(2)14(15(23)24-5)20-13(22)7-6-12-10(3)19-16-17-8-18-21(16)11(12)4/h8-9,14H,6-7H2,1-5H3,(H,20,22)/t14-/m0/s1

InChI Key

SZBSYZDTQNXFBX-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14771103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.077

Distribution Coefficient, logD

1.077

Water Solubility, LogSw

-1.72

Polar Surface Area

77.314

Acid Dissociation Constant (pKa)

14.44

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

C561-1718 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C561-1718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1718?
Check Price and Availability of C561-1718, 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 C561-1718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1718
  • 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 C561-1718 available by request