C561-1882 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide

C561-1882 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide
C561-1882 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1882
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-{2,5,7-trimethyl-[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

C561-1882

Molecular Formula

C20H25N5OS (C20 H25 N5 OS)

Compound Name

N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide

IUPAC name

N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-{257-trimethyl-[124]triazolo[15-a]pyrimidin-6-yl}propanamide

SMILES

Cc1nn2c(C)c(CCC(NCCc(cc3)ccc3SC)=O)c(C)nc2n1

InChI

InChI=1S/C20H25N5OS/c1-13-18(14(2)25-20(22-13)23-15(3)24-25)9-10-19(26)21-12-11-16-5-7-17(27-4)8-6-16/h5-8H,9-12H2,1-4H3,(H,21,26)

InChI Key

OAQYHSJKRDFEDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.027

Distribution Coefficient, logD

2.026

Water Solubility, LogSw

-2.62

Polar Surface Area

55.030

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with C561-1882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1882?
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What is the minimum amount of C561-1882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1882
  • 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 C561-1882 available by request