D100-0013 Screening compound: N-(1,2-benzoxazol-3-yl)propanamide

D100-0013 Screening compound: N-(1,2-benzoxazol-3-yl)propanamide
D100-0013 Screening compound: N-(1,2-benzoxazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D100-0013
N-(1,2-benzoxazol-3-yl)propanamide

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

D100-0013

Molecular Formula

C10H10N2O2 (C10 H10 N2 O2)

Compound Name

N-(1,2-benzoxazol-3-yl)propanamide

IUPAC name

N-(12-benzoxazol-3-yl)propanamide

SMILES

CCC(Nc1noc2c1cccc2)=O

InChI

InChI=1S/C10H10N2O2/c1-2-9(13)11-10-7-5-3-4-6-8(7)14-12-10/h3-6H,2H2,1H3,(H,11,12,13)

InChI Key

NTIZVTVOSJJSDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08362424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

190.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.027

Distribution Coefficient, logD

2.025

Water Solubility, LogSw

-2.60

Polar Surface Area

45.456

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D100-0013 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Structure:
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D100-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D100-0013?
Check Price and Availability of D100-0013, 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 D100-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D100-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D100-0013
  • 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 D100-0013 available by request