3729-2264 Screening compound: 2-(4-methylphenyl)-1,3-benzoxazol-5-amine

3729-2264 Screening compound: 2-(4-methylphenyl)-1,3-benzoxazol-5-amine
3729-2264 Screening compound: 2-(4-methylphenyl)-1,3-benzoxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3729-2264
2-(4-methylphenyl)-1,3-benzoxazol-5-amine

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

3729-2264

Molecular Formula

C14H12N2O (C14 H12 N2 O)

Compound Name

2-(4-methylphenyl)-1,3-benzoxazol-5-amine

IUPAC name

n/a

SMILES

Cc(cc1)ccc1-c1nc(cc(cc2)N)c2o1

InChI

InChI=1S/C14H12N2O/c1-9-2-4-10(5-3-9)14-16-12-8-11(15)6-7-13(12)17-14/h2-8H,15H2,1H3

InChI Key

HSZLOKDLSZAZCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00477461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

224.26

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.067

Distribution Coefficient, logD

3.067

Water Solubility, LogSw

-3.00

Polar Surface Area

37.855

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

3729-2264 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 3729-2264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3729-2264?
Check Price and Availability of 3729-2264, 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 3729-2264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3729-2264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3729-2264
  • 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 3729-2264 available by request