3329-3298 Screening compound: N~2~-(3-bromophenyl)-4-oxo-4H-chromene-2-carboxamide

3329-3298 Screening compound: N~2~-(3-bromophenyl)-4-oxo-4H-chromene-2-carboxamide
3329-3298 Screening compound: N~2~-(3-bromophenyl)-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3329-3298
N~2~-(3-bromophenyl)-4-oxo-4H-chromene-2-carboxamide

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

3329-3298

Molecular Formula

C16H10BrNO3 (C16 H10 BrNO3)

Compound Name

N~2~-(3-bromophenyl)-4-oxo-4H-chromene-2-carboxamide

IUPAC name

N-(3-bromophenyl)-4-oxo-4H-chromene-2-carboxamide

SMILES

O=C(C(Oc1c2cccc1)=CC2=O)Nc1cccc(Br)c1

InChI

InChI=1S/C16H10BrNO3/c17-10-4-3-5-11(8-10)18-16(20)15-9-13(19)12-6-1-2-7-14(12)21-15/h1-9H,(H,18,20)

InChI Key

LEKWWZUBFKWKMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04407794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.16

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.898

Distribution Coefficient, logD

3.888

Water Solubility, LogSw

-4.26

Polar Surface Area

45.148

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3329-3298 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 3329-3298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3329-3298?
Check Price and Availability of 3329-3298, 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 3329-3298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3329-3298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3329-3298
  • 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 3329-3298 available by request