SA55-1005 Screening compound: N~2~-[2-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]-2-propanesulfonamide

SA55-1005 Screening compound: N~2~-[2-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]-2-propanesulfonamide
SA55-1005 Screening compound: N~2~-[2-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]-2-propanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA55-1005
N~2~-[2-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethyl]-2-propanesulfonamide

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

SA55-1005

Molecular Formula

C12H21N3O3S (C12 H21 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)S(NCCc1nn(C)c2c1COCC2)(=O)=O

InChI

InChI=1S/C12H21N3O3S/c1-9(2)19(16,17)13-6-4-11-10-8-18-7-5-12(10)15(3)14-11/h9,13H,4-8H2,1-3H3

InChI Key

YFWBAGQZLMLYFU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.335

Distribution Coefficient, logD

0.335

Water Solubility, LogSw

-1.68

Polar Surface Area

65.950

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

References: we are preparing a list of scientific research reports with SA55-1005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA55-1005?
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What is the minimum amount of SA55-1005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA55-1005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA55-1005
  • 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 SA55-1005 available by request