8004-6544 Screening compound: 3-bromo-N-(tetrahydro-2-furanylmethyl)benzamide

8004-6544 Screening compound: 3-bromo-N-(tetrahydro-2-furanylmethyl)benzamide
8004-6544 Screening compound: 3-bromo-N-(tetrahydro-2-furanylmethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-6544
3-bromo-N-(tetrahydro-2-furanylmethyl)benzamide

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

8004-6544

Molecular Formula

C12H14BrNO2 (C12 H14 BrNO2)

Compound Name

3-bromo-N-(tetrahydro-2-furanylmethyl)benzamide

IUPAC name

3-bromo-N-[(oxolan-2-yl)methyl]benzamide

SMILES

O=C(c1cccc(Br)c1)NCC1OCCC1

InChI

InChI=1S/C12H14BrNO2/c13-10-4-1-3-9(7-10)12(15)14-8-11-5-2-6-16-11/h1,3-4,7,11H,2,5-6,8H2,(H,14,15)/t11-/m1/s1

InChI Key

FJPKLVKEBYECMO-LLVKDONJSA-N

MDL Number (MFCD)

MFCD00740079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.15

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.086

Distribution Coefficient, logD

2.086

Water Solubility, LogSw

-2.68

Polar Surface Area

33.306

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

8004-6544 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8004-6544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-6544?
Check Price and Availability of 8004-6544, 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 8004-6544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-6544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-6544
  • 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 8004-6544 available by request