SC19-0548 Screening compound: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]piperazino}methanone

SC19-0548 Screening compound: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]piperazino}methanone
SC19-0548 Screening compound: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]piperazino}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC19-0548
[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]piperazino}methanone

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

SC19-0548

Molecular Formula

C25H32N6O2 (C25 H32 N6 O2)

Compound Name

[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]piperazino}methanone

IUPAC name

1-[3-(34-dimethylphenyl)-1H-pyrazole-5-carbonyl]-4-({1-ethyl-1H4H6H7H-pyrano[43-c]pyrazol-3-yl}methyl)piperazine

SMILES

CCn1nc(CN(CC2)CCN2C(c2cc(-c3cc(C)c(C)cc3)n[nH]2)=O)c2c1CCOC2

InChI

InChI=1S/C25H32N6O2/c1-4-31-24-7-12-33-16-20(24)23(28-31)15-29-8-10-30(11-9-29)25(32)22-14-21(26-27-22)19-6-5-17(2)18(3)13-19/h5-6,13-14H,4,7-12,15-16H2,1-3H3,(H,26,27)

InChI Key

SRFIOWZPHYKGJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32256525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.672

Distribution Coefficient, logD

0.050

Water Solubility, LogSw

-2.76

Polar Surface Area

66.196

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

10.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

SC19-0548 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC19-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC19-0548?
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What is the minimum amount of SC19-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC19-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC19-0548
  • 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 SC19-0548 available by request