8020-0053 Screening compound: 1-(1,3-benzoxazol-2-yl)methanamine

8020-0053 Screening compound: 1-(1,3-benzoxazol-2-yl)methanamine
8020-0053 Screening compound: 1-(1,3-benzoxazol-2-yl)methanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0053
1-(1,3-benzoxazol-2-yl)methanamine

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

8020-0053

Molecular Formula

C8H8N2O (C8 H8 N2 O)

Compound Name

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

IUPAC name

1-(13-benzoxazol-2-yl)methanamine

SMILES

NCc1nc(cccc2)c2o1

InChI

InChI=1S/C8H8N2O/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2

InChI Key

YKUMWOOPDHGKIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03990563

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

148.16

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

0.836

Distribution Coefficient, logD

0.338

Water Solubility, LogSw

-1.16

Polar Surface Area

38.646

Acid Dissociation Constant (pKa)

24.32

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8020-0053 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8020-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0053?
Check Price and Availability of 8020-0053, 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 8020-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0053
  • 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 8020-0053 available by request