6804-0079 Screening compound: N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide

6804-0079 Screening compound: N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide
6804-0079 Screening compound: N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6804-0079
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-1-(4-chlorophenyl)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

6804-0079

Molecular Formula

C25H21ClN2O3 (C25 H21 ClN2 O3)

Compound Name

N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide

IUPAC name

N-[3-(13-benzoxazol-2-yl)-4-hydroxyphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide

SMILES

Oc(ccc(NC(C1(CCCC1)c(cc1)ccc1Cl)=O)c1)c1-c1nc(cccc2)c2o1

InChI

InChI=1S/C25H21ClN2O3/c26-17-9-7-16(8-10-17)25(13-3-4-14-25)24(30)27-18-11-12-21(29)19(15-18)23-28-20-5-1-2-6-22(20)31-23/h1-2,5-12,15,29H,3-4,13-14H2,(H,27,30)

InChI Key

LMCDMYHLDXTNNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05992785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.896

Distribution Coefficient, logD

6.896

Water Solubility, LogSw

-6.04

Polar Surface Area

56.975

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

6804-0079 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Structure:
  • Pool
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 6804-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6804-0079?
Check Price and Availability of 6804-0079, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6804-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6804-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6804-0079
  • 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 6804-0079 available by request