J009-0485 Screening compound: methyl 4-chloro-3-{1-[(2-methylphenyl)methanesulfonyl]piperidine-3-amido}benzoate

J009-0485 Screening compound: methyl 4-chloro-3-{1-[(2-methylphenyl)methanesulfonyl]piperidine-3-amido}benzoate
J009-0485 Screening compound: methyl 4-chloro-3-{1-[(2-methylphenyl)methanesulfonyl]piperidine-3-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J009-0485
methyl 4-chloro-3-{1-[(2-methylphenyl)methanesulfonyl]piperidine-3-amido}benzoate

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

J009-0485

Molecular Formula

C22H25ClN2O5S (C22 H25 ClN2 O5 S)

Compound Name

methyl 4-chloro-3-{1-[(2-methylphenyl)methanesulfonyl]piperidine-3-amido}benzoate

IUPAC name

methyl 4-chloro-3-{1-[(2-methylphenyl)methanesulfonyl]piperidine-3-amido}benzoate

SMILES

Cc1c(CS(N(CCC2)CC2C(Nc(cc(cc2)C(OC)=O)c2Cl)=O)(=O)=O)cccc1

InChI

InChI=1S/C22H25ClN2O5S/c1-15-6-3-4-7-18(15)14-31(28,29)25-11-5-8-17(13-25)21(26)24-20-12-16(22(27)30-2)9-10-19(20)23/h3-4,6-7,9-10,12,17H,5,8,11,13-14H2,1-2H3,(H,24,26)/t17-/m0/s1

InChI Key

IROVWYUKMVHPKP-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27216388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.97

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.032

Distribution Coefficient, logD

4.031

Water Solubility, LogSw

-4.39

Polar Surface Area

75.344

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-3.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

J009-0485 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Others
  • Phosphatases
Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J009-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J009-0485?
Check Price and Availability of J009-0485, 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 J009-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J009-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J009-0485
  • 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 J009-0485 available by request