D107-0001 Screening compound: N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide

D107-0001 Screening compound: N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
D107-0001 Screening compound: N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D107-0001
N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide

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

D107-0001

Molecular Formula

C14H14N2O2 (C14 H14 N2 O2)

Compound Name

N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide

IUPAC name

N-(4567-tetrahydro-21-benzoxazol-3-yl)benzamide

SMILES

O=C(c1ccccc1)Nc1c(CCCC2)c2no1

InChI

InChI=1S/C14H14N2O2/c17-13(10-6-2-1-3-7-10)15-14-11-8-4-5-9-12(11)16-18-14/h1-3,6-7H,4-5,8-9H2,(H,15,17)

InChI Key

UXNBDEUEBDRYLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08550088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

242.28

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

2.618

Distribution Coefficient, logD

2.314

Water Solubility, LogSw

-3.04

Polar Surface Area

46.839

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

-4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D107-0001 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Fragments Library (11262 compounds)

GPCR Targeted Library (31838 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Structure:
  • Fragments
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with D107-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D107-0001?
Check Price and Availability of D107-0001, 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 D107-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D107-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D107-0001
  • 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 D107-0001 available by request