8004-8066 Screening compound: 2-(2-bromophenyl)-1,3-benzoxazol-5-amine

8004-8066 Screening compound: 2-(2-bromophenyl)-1,3-benzoxazol-5-amine
8004-8066 Screening compound: 2-(2-bromophenyl)-1,3-benzoxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-8066
2-(2-bromophenyl)-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

8004-8066

Molecular Formula

C13H9BrN2O (C13 H9 BrN2 O)

Compound Name

2-(2-bromophenyl)-1,3-benzoxazol-5-amine

IUPAC name

2-(2-bromophenyl)-13-benzoxazol-5-amine

SMILES

Nc(cc1)cc2c1oc(-c(cccc1)c1Br)n2

InChI

InChI=1S/C13H9BrN2O/c14-10-4-2-1-3-9(10)13-16-11-7-8(15)5-6-12(11)17-13/h1-7H,15H2

InChI Key

QUKTZXBKSASZIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00297690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.13

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

2.910

Distribution Coefficient, logD

2.910

Water Solubility, LogSw

-3.40

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

0.00

8004-8066 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Fragments Library (11262 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Crystallographic and 19F NMR fragment-libraries (624 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8004-8066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-8066?
Check Price and Availability of 8004-8066, 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 8004-8066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-8066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-8066
  • 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 8004-8066 available by request