C561-1873 Screening compound: N-[(3-chlorophenyl)methyl]-3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide

C561-1873 Screening compound: N-[(3-chlorophenyl)methyl]-3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide
C561-1873 Screening compound: N-[(3-chlorophenyl)methyl]-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 C561-1873
N-[(3-chlorophenyl)methyl]-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

C561-1873

Molecular Formula

C18H20ClN5O (C18 H20 ClN5 O)

Compound Name

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

IUPAC name

N-[(3-chlorophenyl)methyl]-3-{257-trimethyl-[124]triazolo[15-a]pyrimidin-6-yl}propanamide

SMILES

Cc1nn2c(C)c(CCC(NCc3cccc(Cl)c3)=O)c(C)nc2n1

InChI

InChI=1S/C18H20ClN5O/c1-11-16(12(2)24-18(21-11)22-13(3)23-24)7-8-17(25)20-10-14-5-4-6-15(19)9-14/h4-6,9H,7-8,10H2,1-3H3,(H,20,25)

InChI Key

YYYLBWYGVDTREJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.230

Distribution Coefficient, logD

2.229

Water Solubility, LogSw

-3.39

Polar Surface Area

55.189

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C561-1873 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C561-1873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1873?
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What is the minimum amount of C561-1873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1873
  • 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 C561-1873 available by request