J009-2385 Screening compound: methyl 3-{1-[(4-fluorophenyl)methanesulfonyl]piperidine-3-amido}-2-methylbenzoate

J009-2385 Screening compound: methyl 3-{1-[(4-fluorophenyl)methanesulfonyl]piperidine-3-amido}-2-methylbenzoate
J009-2385 Screening compound: methyl 3-{1-[(4-fluorophenyl)methanesulfonyl]piperidine-3-amido}-2-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J009-2385
methyl 3-{1-[(4-fluorophenyl)methanesulfonyl]piperidine-3-amido}-2-methylbenzoate

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

J009-2385

Molecular Formula

C22H25FN2O5S (C22 H25 FN2 O5 S)

Compound Name

methyl 3-{1-[(4-fluorophenyl)methanesulfonyl]piperidine-3-amido}-2-methylbenzoate

IUPAC name

methyl 3-{1-[(4-fluorophenyl)methanesulfonyl]piperidine-3-amido}-2-methylbenzoate

SMILES

Cc(c(C(OC)=O)ccc1)c1NC(C(CCC1)CN1S(Cc(cc1)ccc1F)(=O)=O)=O

InChI

InChI=1S/C22H25FN2O5S/c1-15-19(22(27)30-2)6-3-7-20(15)24-21(26)17-5-4-12-25(13-17)31(28,29)14-16-8-10-18(23)11-9-16/h3,6-11,17H,4-5,12-14H2,1-2H3,(H,24,26)/t17-/m0/s1

InChI Key

TZQXXIYLLVRIHF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27216600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

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

2.599

Distribution Coefficient, logD

2.599

Water Solubility, LogSw

-3.20

Polar Surface Area

75.344

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

J009-2385 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J009-2385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J009-2385?
Check Price and Availability of J009-2385, 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 J009-2385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J009-2385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J009-2385
  • 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 J009-2385 available by request