SC89-0267 Screening compound: 2-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}-8-(piperidinomethyl)-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione

SC89-0267 Screening compound: 2-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}-8-(piperidinomethyl)-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
SC89-0267 Screening compound: 2-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}-8-(piperidinomethyl)-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SC89-0267
2-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}-8-(piperidinomethyl)-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione

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

SC89-0267

Molecular Formula

C22H27FN4O3S (C22 H27 FN4 O3 S)

Compound Name

2-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}-8-(piperidinomethyl)-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione

IUPAC name

2-[3-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-8-[(piperidin-1-yl)methyl]-5lambda6-thia-2-azaspiro[3.4]octane-55-dione

SMILES

O=C(c1c[nH]nc1-c(cc1)ccc1F)N(C1)CC1(C(CN1CCCCC1)CC1)S1(=O)=O

InChI

InChI=1S/C22H27FN4O3S/c23-18-6-4-16(5-7-18)20-19(12-24-25-20)21(28)27-14-22(15-27)17(8-11-31(22,29)30)13-26-9-2-1-3-10-26/h4-7,12,17H,1-3,8-11,13-15H2,(H,24,25)/t17-/m0/s1

InChI Key

GQSNYUABGJWNSR-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.921

Distribution Coefficient, logD

0.669

Water Solubility, LogSw

-2.82

Polar Surface Area

73.819

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

8.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

SC89-0267 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with SC89-0267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC89-0267?
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What is the minimum amount of SC89-0267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC89-0267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC89-0267
  • 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 SC89-0267 available by request