SA87-1008 Screening compound: 1-(difluoromethyl)-N-{[4-(2-methoxyethyl)-5-oxomorpholin-2-yl]methyl}-5-methyl-1H-pyrazole-4-sulfonamide

SA87-1008 Screening compound: 1-(difluoromethyl)-N-{[4-(2-methoxyethyl)-5-oxomorpholin-2-yl]methyl}-5-methyl-1H-pyrazole-4-sulfonamide
SA87-1008 Screening compound: 1-(difluoromethyl)-N-{[4-(2-methoxyethyl)-5-oxomorpholin-2-yl]methyl}-5-methyl-1H-pyrazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA87-1008
1-(difluoromethyl)-N-{[4-(2-methoxyethyl)-5-oxomorpholin-2-yl]methyl}-5-methyl-1H-pyrazole-4-sulfonamide

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

SA87-1008

Molecular Formula

C13H20F2N4O5S (C13 H20 F2 N4 O5 S)

Compound Name

1-(difluoromethyl)-N-{[4-(2-methoxyethyl)-5-oxomorpholin-2-yl]methyl}-5-methyl-1H-pyrazole-4-sulfonamide

IUPAC name

1-(difluoromethyl)-N-{[4-(2-methoxyethyl)-5-oxomorpholin-2-yl]methyl}-5-methyl-1H-pyrazole-4-sulfonamide

SMILES

Cc(n(C(F)F)nc1)c1S(NCC(CN1CCOC)OCC1=O)(=O)=O

InChI

InChI=1S/C13H20F2N4O5S/c1-9-11(6-16-19(9)13(14)15)25(21,22)17-5-10-7-18(3-4-23-2)12(20)8-24-10/h6,10,13,17H,3-5,7-8H2,1-2H3/t10-/m0/s1

InChI Key

HDGFACYBLJVQPO-JTQLQIEISA-N

MDL Number (MFCD)

MFCD32242422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-1.328

Distribution Coefficient, logD

-1.329

Water Solubility, LogSw

-1.69

Polar Surface Area

89.600

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.23

SA87-1008 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA87-1008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA87-1008?
Check Price and Availability of SA87-1008, 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 SA87-1008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA87-1008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA87-1008
  • 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 SA87-1008 available by request