C561-1822 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

C561-1822 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
C561-1822 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-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 C561-1822
N-[(2H-1,3-benzodioxol-5-yl)methyl]-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

C561-1822

Molecular Formula

C26H27N5O5 (C26 H27 N5 O5)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-[2-(35-dimethoxyphenyl)-57-dimethyl-[124]triazolo[15-a]pyrimidin-6-yl]propanamide

SMILES

Cc1c(CCC(NCc(cc2)cc3c2OCO3)=O)c(C)nc2nc(-c3cc(OC)cc(OC)c3)nn12

InChI

InChI=1S/C26H27N5O5/c1-15-21(6-8-24(32)27-13-17-5-7-22-23(9-17)36-14-35-22)16(2)31-26(28-15)29-25(30-31)18-10-19(33-3)12-20(11-18)34-4/h5,7,9-12H,6,8,13-14H2,1-4H3,(H,27,32)

InChI Key

MECFQLVJPWRFLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.336

Distribution Coefficient, logD

3.205

Water Solubility, LogSw

-3.59

Polar Surface Area

87.507

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C561-1822 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C561-1822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1822?
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What is the minimum amount of C561-1822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1822
  • 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 C561-1822 available by request