J029-0339 Screening compound: 1-(4-methylphenyl)-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]cyclopentane-1-carboxamide

J029-0339 Screening compound: 1-(4-methylphenyl)-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]cyclopentane-1-carboxamide
J029-0339 Screening compound: 1-(4-methylphenyl)-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]cyclopentane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J029-0339
1-(4-methylphenyl)-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]cyclopentane-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

J029-0339

Molecular Formula

C25H23N3O2 (C25 H23 N3 O2)

Compound Name

1-(4-methylphenyl)-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]cyclopentane-1-carboxamide

IUPAC name

1-(4-methylphenyl)-N-[2-(pyridin-3-yl)-13-benzoxazol-5-yl]cyclopentane-1-carboxamide

SMILES

Cc1ccc(C2(CCCC2)C(Nc(cc2)cc3c2oc(-c2cnccc2)n3)=O)cc1

InChI

InChI=1S/C25H23N3O2/c1-17-6-8-19(9-7-17)25(12-2-3-13-25)24(29)27-20-10-11-22-21(15-20)28-23(30-22)18-5-4-14-26-16-18/h4-11,14-16H,2-3,12-13H2,1H3,(H,27,29)

InChI Key

XTPATCAPADFNDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11855558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

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

4.909

Distribution Coefficient, logD

4.906

Water Solubility, LogSw

-4.28

Polar Surface Area

49.944

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

J029-0339 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J029-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J029-0339?
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What is the minimum amount of J029-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J029-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J029-0339
  • 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 J029-0339 available by request