SA55-4092 Screening compound: 3-methyl-N~1~-[2-(1-propyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]benzamide

SA55-4092 Screening compound: 3-methyl-N~1~-[2-(1-propyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]benzamide
SA55-4092 Screening compound: 3-methyl-N~1~-[2-(1-propyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA55-4092
3-methyl-N~1~-[2-(1-propyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]benzamide

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

SA55-4092

Molecular Formula

C19H25N3O2 (C19 H25 N3 O2)

Compound Name

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

IUPAC name

3-methyl-N-(2-{1-propyl-1H4H6H7H-pyrano[43-c]pyrazol-3-yl}ethyl)benzamide

SMILES

CCCn1nc(CCNC(c2cc(C)ccc2)=O)c2c1CCOC2

InChI

InChI=1S/C19H25N3O2/c1-3-10-22-18-8-11-24-13-16(18)17(21-22)7-9-20-19(23)15-6-4-5-14(2)12-15/h4-6,12H,3,7-11,13H2,1-2H3,(H,20,23)

InChI Key

WPMIXAVCRZMGLT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.063

Distribution Coefficient, logD

2.063

Water Solubility, LogSw

-2.57

Polar Surface Area

48.026

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.37

SA55-4092 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 SA55-4092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA55-4092?
Check Price and Availability of SA55-4092, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SA55-4092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA55-4092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA55-4092
  • 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 SA55-4092 available by request