8512-0105 Screening compound: N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]furan-2-carboxamide

8512-0105 Screening compound: N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]furan-2-carboxamide
8512-0105 Screening compound: N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8512-0105
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]furan-2-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

8512-0105

Molecular Formula

C19H13ClN2O4 (C19 H13 ClN2 O4)

Compound Name

N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]furan-2-carboxamide

IUPAC name

N-[3-(5-chloro-13-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]furan-2-carboxamide

SMILES

Cc1cc(NC(c2ccco2)=O)cc(-c2nc(cc(cc3)Cl)c3o2)c1O

InChI

InChI=1S/C19H13ClN2O4/c1-10-7-12(21-18(24)16-3-2-6-25-16)9-13(17(10)23)19-22-14-8-11(20)4-5-15(14)26-19/h2-9,23H,1H3,(H,21,24)

InChI Key

IEXUOSTYUAMITL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07403084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.692

Distribution Coefficient, logD

4.692

Water Solubility, LogSw

-4.59

Polar Surface Area

64.197

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

8512-0105 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8512-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8512-0105?
Check Price and Availability of 8512-0105, 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 8512-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8512-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8512-0105
  • 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 8512-0105 available by request