C561-1640 Screening compound: ethyl 4-(3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)benzoate

C561-1640 Screening compound: ethyl 4-(3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)benzoate
C561-1640 Screening compound: ethyl 4-(3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1640
ethyl 4-(3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)benzoate

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

C561-1640

Molecular Formula

C19H21N5O3 (C19 H21 N5 O3)

Compound Name

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

IUPAC name

ethyl 4-(3-{57-dimethyl-[124]triazolo[15-a]pyrimidin-6-yl}propanamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CCc1c(C)n2ncnc2nc1C)=O)=O

InChI

InChI=1S/C19H21N5O3/c1-4-27-18(26)14-5-7-15(8-6-14)23-17(25)10-9-16-12(2)22-19-20-11-21-24(19)13(16)3/h5-8,11H,4,9-10H2,1-3H3,(H,23,25)

InChI Key

QCPGSEWANJCEFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.41

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

2.301

Distribution Coefficient, logD

2.301

Water Solubility, LogSw

-2.78

Polar Surface Area

75.948

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C561-1640 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

SH2 Library (10483 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C561-1640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1640?
Check Price and Availability of C561-1640, 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 C561-1640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1640
  • 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 C561-1640 available by request