SA55-4158 Screening compound: 1-(4-methoxyphenyl)-N~1~-[2-(1-propyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]-1-cyclohexanecarboxamide

SA55-4158 Screening compound: 1-(4-methoxyphenyl)-N~1~-[2-(1-propyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]-1-cyclohexanecarboxamide
SA55-4158 Screening compound: 1-(4-methoxyphenyl)-N~1~-[2-(1-propyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA55-4158
1-(4-methoxyphenyl)-N~1~-[2-(1-propyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]-1-cyclohexanecarboxamide

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

SA55-4158

Molecular Formula

C25H35N3O3 (C25 H35 N3 O3)

Compound Name

1-(4-methoxyphenyl)-N~1~-[2-(1-propyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]-1-cyclohexanecarboxamide

IUPAC name

1-(4-methoxyphenyl)-N-(2-{1-propyl-1H4H6H7H-pyrano[43-c]pyrazol-3-yl}ethyl)cyclohexane-1-carboxamide

SMILES

CCCn1nc(CCNC(C2(CCCCC2)c(cc2)ccc2OC)=O)c2c1CCOC2

InChI

InChI=1S/C25H35N3O3/c1-3-16-28-23-12-17-31-18-21(23)22(27-28)11-15-26-24(29)25(13-5-4-6-14-25)19-7-9-20(30-2)10-8-19/h7-10H,3-6,11-18H2,1-2H3,(H,26,29)

InChI Key

VZUJLQRDJJTYFM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.446

Distribution Coefficient, logD

3.446

Water Solubility, LogSw

-3.52

Polar Surface Area

55.490

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

SA55-4158 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SA55-4158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA55-4158?
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What is the minimum amount of SA55-4158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA55-4158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA55-4158
  • 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 SA55-4158 available by request