C561-1638 Screening compound: methyl 4-(3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)benzoate

C561-1638 Screening compound: methyl 4-(3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamido)benzoate
C561-1638 Screening compound: methyl 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 C561-1638
methyl 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

C561-1638

Molecular Formula

C18H19N5O3 (C18 H19 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CCC(Nc(cc2)ccc2C(OC)=O)=O)c(C)nc2ncnn12

InChI

InChI=1S/C18H19N5O3/c1-11-15(12(2)23-18(21-11)19-10-20-23)8-9-16(24)22-14-6-4-13(5-7-14)17(25)26-3/h4-7,10H,8-9H2,1-3H3,(H,22,24)

InChI Key

FCKNWSNCNLYEAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.791

Distribution Coefficient, logD

1.790

Water Solubility, LogSw

-2.20

Polar Surface Area

76.369

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

C561-1638 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

SH2 Library (10483 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 C561-1638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1638?
Check Price and Availability of C561-1638, 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 C561-1638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1638
  • 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 C561-1638 available by request