0717-0921 Screening compound: N-[2-(4-cyclohexaneamidophenyl)-1,3-benzoxazol-5-yl]cyclohexanecarboxamide

0717-0921 Screening compound: N-[2-(4-cyclohexaneamidophenyl)-1,3-benzoxazol-5-yl]cyclohexanecarboxamide
0717-0921 Screening compound: N-[2-(4-cyclohexaneamidophenyl)-1,3-benzoxazol-5-yl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0717-0921
N-[2-(4-cyclohexaneamidophenyl)-1,3-benzoxazol-5-yl]cyclohexanecarboxamide

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

0717-0921

Molecular Formula

C27H31N3O3 (C27 H31 N3 O3)

Compound Name

N-[2-(4-cyclohexaneamidophenyl)-1,3-benzoxazol-5-yl]cyclohexanecarboxamide

IUPAC name

N-[2-(4-cyclohexaneamidophenyl)-13-benzoxazol-5-yl]cyclohexanecarboxamide

SMILES

O=C(C1CCCCC1)Nc(cc1)ccc1-c1nc(cc(cc2)NC(C3CCCCC3)=O)c2o1

InChI

InChI=1S/C27H31N3O3/c31-25(18-7-3-1-4-8-18)28-21-13-11-20(12-14-21)27-30-23-17-22(15-16-24(23)33-27)29-26(32)19-9-5-2-6-10-19/h11-19H,1-10H2,(H,28,31)(H,29,32)

InChI Key

QZSVUWXQUUFLDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00608296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.584

Distribution Coefficient, logD

5.584

Water Solubility, LogSw

-5.76

Polar Surface Area

63.615

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

0717-0921 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

C-Met Library (15277 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0717-0921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0717-0921?
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What is the minimum amount of 0717-0921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0717-0921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0717-0921
  • 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 0717-0921 available by request