J029-0338 Screening compound: 1-phenyl-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]cyclopentane-1-carboxamide

J029-0338 Screening compound: 1-phenyl-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]cyclopentane-1-carboxamide
J029-0338 Screening compound: 1-phenyl-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]cyclopentane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J029-0338
1-phenyl-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

J029-0338

Molecular Formula

C24H21N3O2 (C24 H21 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1(CCCC1)c1ccccc1)Nc(cc1)cc2c1oc(-c1cnccc1)n2

InChI

InChI=1S/C24H21N3O2/c28-23(24(12-4-5-13-24)18-8-2-1-3-9-18)26-19-10-11-21-20(15-19)27-22(29-21)17-7-6-14-25-16-17/h1-3,6-11,14-16H,4-5,12-13H2,(H,26,28)

InChI Key

YABFVYDCJCRESL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09961525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

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

4.381

Distribution Coefficient, logD

4.378

Water Solubility, LogSw

-4.25

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

20.80

J029-0338 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with J029-0338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J029-0338?
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What is the minimum amount of J029-0338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J029-0338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J029-0338
  • 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 J029-0338 available by request