SA55-3958 Screening compound: N~3~-[2-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide

SA55-3958 Screening compound: N~3~-[2-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
SA55-3958 Screening compound: N~3~-[2-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA55-3958
N~3~-[2-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide

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

SA55-3958

Molecular Formula

C21H23N5O2 (C21 H23 N5 O2)

Compound Name

N~3~-[2-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide

IUPAC name

n/a

SMILES

Cn1nc(CCNC(c2n[nH]c-3c2CCc2c3cccc2)=O)c2c1CCOC2

InChI

InChI=1S/C21H23N5O2/c1-26-18-9-11-28-12-16(18)17(25-26)8-10-22-21(27)20-15-7-6-13-4-2-3-5-14(13)19(15)23-24-20/h2-5H,6-12H2,1H3,(H,22,27)(H,23,24)

InChI Key

AGMDPGPMPZFKNM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.633

Distribution Coefficient, logD

1.633

Water Solubility, LogSw

-2.42

Polar Surface Area

72.375

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

SA55-3958 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 SA55-3958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA55-3958?
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What is the minimum amount of SA55-3958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA55-3958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA55-3958
  • 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 SA55-3958 available by request