D050-0067 Screening compound: N-(1,2-benzoxazol-3-yl)-3,4,5-trimethoxybenzamide

D050-0067 Screening compound: N-(1,2-benzoxazol-3-yl)-3,4,5-trimethoxybenzamide
D050-0067 Screening compound: N-(1,2-benzoxazol-3-yl)-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D050-0067
N-(1,2-benzoxazol-3-yl)-3,4,5-trimethoxybenzamide

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

D050-0067

Molecular Formula

C17H16N2O5 (C17 H16 N2 O5)

Compound Name

N-(1,2-benzoxazol-3-yl)-3,4,5-trimethoxybenzamide

IUPAC name

N-(12-benzoxazol-3-yl)-345-trimethoxybenzamide

SMILES

COc1cc(C(Nc2noc3c2cccc3)=O)cc(OC)c1OC

InChI

InChI=1S/C17H16N2O5/c1-21-13-8-10(9-14(22-2)15(13)23-3)17(20)18-16-11-6-4-5-7-12(11)24-19-16/h4-9H,1-3H3,(H,18,19,20)

InChI Key

NCXSYLDVOGGHFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.911

Distribution Coefficient, logD

2.910

Water Solubility, LogSw

-3.55

Polar Surface Area

68.376

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

D050-0067 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D050-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D050-0067?
Check Price and Availability of D050-0067, 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 D050-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D050-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D050-0067
  • 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 D050-0067 available by request