4321-1200 Screening compound: N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide

4321-1200 Screening compound: N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide
4321-1200 Screening compound: N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4321-1200
N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide

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

4321-1200

Molecular Formula

C22H18N2O4 (C22 H18 N2 O4)

Compound Name

N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide

IUPAC name

N-[3-hydroxy-4-(5-methyl-13-benzoxazol-2-yl)phenyl]-4-methoxybenzamide

SMILES

Cc(cc1)cc2c1oc(-c(ccc(NC(c(cc1)ccc1OC)=O)c1)c1O)n2

InChI

InChI=1S/C22H18N2O4/c1-13-3-10-20-18(11-13)24-22(28-20)17-9-6-15(12-19(17)25)23-21(26)14-4-7-16(27-2)8-5-14/h3-12,25H,1-2H3,(H,23,26)

InChI Key

QFFYDDNNLQRXMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01783243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.786

Distribution Coefficient, logD

4.779

Water Solubility, LogSw

-4.37

Polar Surface Area

64.232

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4321-1200 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Cardiovascular Library (22201 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 4321-1200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4321-1200?
Check Price and Availability of 4321-1200, 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 4321-1200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4321-1200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4321-1200
  • 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 4321-1200 available by request