8503-0071 Screening compound: N-[4-hydroxy-3-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

8503-0071 Screening compound: N-[4-hydroxy-3-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
8503-0071 Screening compound: N-[4-hydroxy-3-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8503-0071
N-[4-hydroxy-3-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-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

8503-0071

Molecular Formula

C24H20N2O5 (C24 H20 N2 O5)

Compound Name

N-[4-hydroxy-3-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

IUPAC name

N-[4-hydroxy-3-methyl-5-(5-methyl-13-benzoxazol-2-yl)phenyl]-23-dihydro-14-benzodioxine-6-carboxamide

SMILES

Cc(cc1)cc2c1oc(-c(cc(cc1C)NC(c(cc3)cc4c3OCCO4)=O)c1O)n2

InChI

InChI=1S/C24H20N2O5/c1-13-3-5-19-18(9-13)26-24(31-19)17-12-16(10-14(2)22(17)27)25-23(28)15-4-6-20-21(11-15)30-8-7-29-20/h3-6,9-12,27H,7-8H2,1-2H3,(H,25,28)

InChI Key

WJXNLMPPYSNVBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07403073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.262

Distribution Coefficient, logD

4.261

Water Solubility, LogSw

-4.15

Polar Surface Area

71.442

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8503-0071 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8503-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8503-0071?
Check Price and Availability of 8503-0071, 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 8503-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8503-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8503-0071
  • 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 8503-0071 available by request