2999-1737 Screening compound: 3-(1,3-benzoxazol-2-yl)aniline

2999-1737 Screening compound: 3-(1,3-benzoxazol-2-yl)aniline
2999-1737 Screening compound: 3-(1,3-benzoxazol-2-yl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 2999-1737
3-(1,3-benzoxazol-2-yl)aniline

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

2999-1737

Molecular Formula

C13H10N2O (C13 H10 N2 O)

Compound Name

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

IUPAC name

3-(13-benzoxazol-2-yl)aniline

SMILES

Nc1cccc(-c2nc(cccc3)c3o2)c1

InChI

InChI=1S/C13H10N2O/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,14H2

InChI Key

WHVJDKRJPAKQIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00579110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

210.24

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

2.703

Distribution Coefficient, logD

2.703

Water Solubility, LogSw

-2.92

Polar Surface Area

37.855

Acid Dissociation Constant (pKa)

23.07

Base Dissociation Constant (pKb)

7.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2999-1737 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 2999-1737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2999-1737?
Check Price and Availability of 2999-1737, 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 2999-1737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2999-1737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2999-1737
  • 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 2999-1737 available by request