8512-0103 Screening compound: N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

8512-0103 Screening compound: N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
8512-0103 Screening compound: N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8512-0103
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-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

8512-0103

Molecular Formula

C23H18N2O5 (C23 H18 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(NC(c(cc2)cc3c2OCCO3)=O)cc(-c2nc(cccc3)c3o2)c1O

InChI

InChI=1S/C23H18N2O5/c1-13-10-15(24-22(27)14-6-7-19-20(11-14)29-9-8-28-19)12-16(21(13)26)23-25-17-4-2-3-5-18(17)30-23/h2-7,10-12,26H,8-9H2,1H3,(H,24,27)

InChI Key

PTFVNSFGSGAFKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07403072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.41

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

4.046

Distribution Coefficient, logD

4.046

Water Solubility, LogSw

-4.13

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

13.00

8512-0103 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 8512-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8512-0103?
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What is the minimum amount of 8512-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8512-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8512-0103
  • 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 8512-0103 available by request