C561-1833 Screening compound: N~1~-(sec-butyl)-3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

C561-1833 Screening compound: N~1~-(sec-butyl)-3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
C561-1833 Screening compound: N~1~-(sec-butyl)-3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1833
N~1~-(sec-butyl)-3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

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

C561-1833

Molecular Formula

C22H29N5O3 (C22 H29 N5 O3)

Compound Name

N~1~-(sec-butyl)-3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

IUPAC name

n/a

SMILES

CCC(C)NC(CCc1c(C)n2nc(-c3cc(OC)cc(OC)c3)nc2nc1C)=O

InChI

InChI=1S/C22H29N5O3/c1-7-13(2)23-20(28)9-8-19-14(3)24-22-25-21(26-27(22)15(19)4)16-10-17(29-5)12-18(11-16)30-6/h10-13H,7-9H2,1-6H3,(H,23,28)/t13-/m0/s1

InChI Key

LHVGFJAFPOEVQJ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14771180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.019

Distribution Coefficient, logD

2.888

Water Solubility, LogSw

-3.22

Polar Surface Area

70.105

Acid Dissociation Constant (pKa)

15.60

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

C561-1833 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C561-1833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1833?
Check Price and Availability of C561-1833, 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 C561-1833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1833
  • 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 C561-1833 available by request