J029-0344 Screening compound: N-[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]-1-phenylcyclopentane-1-carboxamide

J029-0344 Screening compound: N-[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]-1-phenylcyclopentane-1-carboxamide
J029-0344 Screening compound: N-[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]-1-phenylcyclopentane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J029-0344
N-[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]-1-phenylcyclopentane-1-carboxamide

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

J029-0344

Molecular Formula

C24H20BrN3O2 (C24 H20 BrN3 O2)

Compound Name

N-[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]-1-phenylcyclopentane-1-carboxamide

IUPAC name

N-[2-(5-bromopyridin-3-yl)-13-benzoxazol-5-yl]-1-phenylcyclopentane-1-carboxamide

SMILES

O=C(C1(CCCC1)c1ccccc1)Nc(cc1)cc2c1oc(-c1cc(Br)cnc1)n2

InChI

InChI=1S/C24H20BrN3O2/c25-18-12-16(14-26-15-18)22-28-20-13-19(8-9-21(20)30-22)27-23(29)24(10-4-5-11-24)17-6-2-1-3-7-17/h1-3,6-9,12-15H,4-5,10-11H2,(H,27,29)

InChI Key

PAOILKGNVMMLKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09961526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.558

Distribution Coefficient, logD

5.557

Water Solubility, LogSw

-5.56

Polar Surface Area

50.034

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

J029-0344 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J029-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J029-0344?
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What is the minimum amount of J029-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J029-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J029-0344
  • 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 J029-0344 available by request