J029-2286 Screening compound: methyl 3-[1-(4-methylphenyl)cyclopentaneamido]-4-(morpholin-4-yl)benzoate

J029-2286 Screening compound: methyl 3-[1-(4-methylphenyl)cyclopentaneamido]-4-(morpholin-4-yl)benzoate
J029-2286 Screening compound: methyl 3-[1-(4-methylphenyl)cyclopentaneamido]-4-(morpholin-4-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J029-2286
methyl 3-[1-(4-methylphenyl)cyclopentaneamido]-4-(morpholin-4-yl)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

J029-2286

Molecular Formula

C25H30N2O4 (C25 H30 N2 O4)

Compound Name

methyl 3-[1-(4-methylphenyl)cyclopentaneamido]-4-(morpholin-4-yl)benzoate

IUPAC name

methyl 3-[1-(4-methylphenyl)cyclopentaneamido]-4-(morpholin-4-yl)benzoate

SMILES

Cc1ccc(C2(CCCC2)C(Nc(cc(cc2)C(OC)=O)c2N2CCOCC2)=O)cc1

InChI

InChI=1S/C25H30N2O4/c1-18-5-8-20(9-6-18)25(11-3-4-12-25)24(29)26-21-17-19(23(28)30-2)7-10-22(21)27-13-15-31-16-14-27/h5-10,17H,3-4,11-16H2,1-2H3,(H,26,29)

InChI Key

LLRYJSLWFOLXDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14857113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.957

Distribution Coefficient, logD

4.803

Water Solubility, LogSw

-4.59

Polar Surface Area

55.152

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

J029-2286 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J029-2286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J029-2286?
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What is the minimum amount of J029-2286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J029-2286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J029-2286
  • 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 J029-2286 available by request