SA55-0890 Screening compound: N~3~-[2-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]tetrahydro-3-furancarboxamide

SA55-0890 Screening compound: N~3~-[2-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]tetrahydro-3-furancarboxamide
SA55-0890 Screening compound: N~3~-[2-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]tetrahydro-3-furancarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA55-0890
N~3~-[2-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]tetrahydro-3-furancarboxamide

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

SA55-0890

Molecular Formula

C14H21N3O3 (C14 H21 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cn1nc(CCNC(C2COCC2)=O)c2c1CCOC2

InChI

InChI=1S/C14H21N3O3/c1-17-13-4-7-20-9-11(13)12(16-17)2-5-15-14(18)10-3-6-19-8-10/h10H,2-9H2,1H3,(H,15,18)/t10-/m0/s1

InChI Key

PDLHFAPCIZKSRW-JTQLQIEISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.647

Distribution Coefficient, logD

-0.647

Water Solubility, LogSw

-0.45

Polar Surface Area

57.298

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

SA55-0890 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 SA55-0890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA55-0890?
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What is the minimum amount of SA55-0890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA55-0890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA55-0890
  • 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 SA55-0890 available by request