C561-1734 Screening compound: 3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

C561-1734 Screening compound: 3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
C561-1734 Screening compound: 3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1734
3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

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

C561-1734

Molecular Formula

C20H23FN6O (C20 H23 FN6 O)

Compound Name

3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

IUPAC name

3-{57-dimethyl-[124]triazolo[15-a]pyrimidin-6-yl}-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

SMILES

Cc1c(CCC(N(CC2)CCN2c(cc2)ccc2F)=O)c(C)nc2ncnn12

InChI

InChI=1S/C20H23FN6O/c1-14-18(15(2)27-20(24-14)22-13-23-27)7-8-19(28)26-11-9-25(10-12-26)17-5-3-16(21)4-6-17/h3-6,13H,7-12H2,1-2H3

InChI Key

ZXGUSAKULXWQAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.779

Distribution Coefficient, logD

1.779

Water Solubility, LogSw

-1.95

Polar Surface Area

51.698

Acid Dissociation Constant (pKa)

20.71

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C561-1734 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C561-1734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1734?
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What is the minimum amount of C561-1734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1734
  • 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 C561-1734 available by request