8018-8765 Screening compound: 2-(1,3-benzoxazol-2-yl)propanedial

8018-8765 Screening compound: 2-(1,3-benzoxazol-2-yl)propanedial
8018-8765 Screening compound: 2-(1,3-benzoxazol-2-yl)propanedial alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8765
2-(1,3-benzoxazol-2-yl)propanedial

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

8018-8765

Molecular Formula

C10H7NO3 (C10 H7 NO3)

Compound Name

2-(1,3-benzoxazol-2-yl)propanedial

IUPAC name

2-(13-benzoxazol-2-yl)propanedial

SMILES

O=CC(C=O)c1nc(cccc2)c2o1

InChI

InChI=1S/C10H7NO3/c12-5-7(6-13)10-11-8-3-1-2-4-9(8)14-10/h1-7H

InChI Key

MEERYQZEXZMOGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00216526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

189.17

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.195

Distribution Coefficient, logD

0.596

Water Solubility, LogSw

-1.37

Polar Surface Area

45.639

Acid Dissociation Constant (pKa)

6.93

Base Dissociation Constant (pKb)

-6.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8018-8765 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

STING Agonist Library (5895 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • Others
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-8765 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8765?
Check Price and Availability of 8018-8765, 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 8018-8765 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8765
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8765
  • 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 8018-8765 available by request