C561-1788 Screening compound: 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methoxyphenyl)methyl]propanamide

C561-1788 Screening compound: 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methoxyphenyl)methyl]propanamide
C561-1788 Screening compound: 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methoxyphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1788
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methoxyphenyl)methyl]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

C561-1788

Molecular Formula

C26H29N5O4 (C26 H29 N5 O4)

Compound Name

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

IUPAC name

3-[2-(35-dimethoxyphenyl)-57-dimethyl-[124]triazolo[15-a]pyrimidin-6-yl]-N-[(4-methoxyphenyl)methyl]propanamide

SMILES

Cc1c(CCC(NCc(cc2)ccc2OC)=O)c(C)nc2nc(-c3cc(OC)cc(OC)c3)nn12

InChI

InChI=1S/C26H29N5O4/c1-16-23(10-11-24(32)27-15-18-6-8-20(33-3)9-7-18)17(2)31-26(28-16)29-25(30-31)19-12-21(34-4)14-22(13-19)35-5/h6-9,12-14H,10-11,15H2,1-5H3,(H,27,32)

InChI Key

YCZMDKLUPPBRGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.406

Distribution Coefficient, logD

3.275

Water Solubility, LogSw

-3.78

Polar Surface Area

77.936

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with C561-1788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1788?
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What is the minimum amount of C561-1788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1788
  • 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 C561-1788 available by request