SA55-2391 Screening compound: N~1~-{2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-2-(3-methylphenoxy)acetamide

SA55-2391 Screening compound: N~1~-{2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-2-(3-methylphenoxy)acetamide
SA55-2391 Screening compound: N~1~-{2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-2-(3-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA55-2391
N~1~-{2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-2-(3-methylphenoxy)acetamide

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

SA55-2391

Molecular Formula

C20H27N3O4 (C20 H27 N3 O4)

Compound Name

N~1~-{2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]ethyl}-2-(3-methylphenoxy)acetamide

IUPAC name

N-{2-[1-(2-methoxyethyl)-1H4H6H7H-pyrano[43-c]pyrazol-3-yl]ethyl}-2-(3-methylphenoxy)acetamide

SMILES

Cc1cccc(OCC(NCCc2nn(CCOC)c3c2COCC3)=O)c1

InChI

InChI=1S/C20H27N3O4/c1-15-4-3-5-16(12-15)27-14-20(24)21-8-6-18-17-13-26-10-7-19(17)23(22-18)9-11-25-2/h3-5,12H,6-11,13-14H2,1-2H3,(H,21,24)

InChI Key

ROIMCOUEAUXHLZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.980

Distribution Coefficient, logD

0.980

Water Solubility, LogSw

-1.94

Polar Surface Area

63.654

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with SA55-2391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA55-2391?
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What is the minimum amount of SA55-2391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA55-2391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA55-2391
  • 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 SA55-2391 available by request