3688-0192 Screening compound: N-[(1Z)-1-(3-bromophenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]furan-2-carboxamide

3688-0192 Screening compound: N-[(1Z)-1-(3-bromophenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]furan-2-carboxamide
3688-0192 Screening compound: N-[(1Z)-1-(3-bromophenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3688-0192
N-[(1Z)-1-(3-bromophenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]furan-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

3688-0192

Molecular Formula

C19H19BrN2O3 (C19 H19 BrN2 O3)

Compound Name

N-[(1Z)-1-(3-bromophenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]furan-2-carboxamide

IUPAC name

N-[(1Z)-1-(3-bromophenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]furan-2-carboxamide

SMILES

O=C(/C(/NC(c1ccco1)=O)=C/c1cccc(Br)c1)N1CCCCC1

InChI

InChI=1S/C19H19BrN2O3/c20-15-7-4-6-14(12-15)13-16(19(24)22-9-2-1-3-10-22)21-18(23)17-8-5-11-25-17/h4-8,11-13H,1-3,9-10H2,(H,21,23)

InChI Key

MHIWHYXZDFAAJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02643779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.681

Distribution Coefficient, logD

1.665

Water Solubility, LogSw

-3.86

Polar Surface Area

47.390

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

3688-0192 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3688-0192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3688-0192?
Check Price and Availability of 3688-0192, 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 3688-0192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3688-0192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3688-0192
  • 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 3688-0192 available by request