6072-0044 Screening compound: 4-(carbamoylmethyl)-N-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}piperazine-1-carboxamide

6072-0044 Screening compound: 4-(carbamoylmethyl)-N-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}piperazine-1-carboxamide
6072-0044 Screening compound: 4-(carbamoylmethyl)-N-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6072-0044
4-(carbamoylmethyl)-N-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}piperazine-1-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

6072-0044

Molecular Formula

C19H28N4O2 (C19 H28 N4 O2)

Compound Name

4-(carbamoylmethyl)-N-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}piperazine-1-carboxamide

IUPAC name

4-(carbamoylmethyl)-N-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}piperazine-1-carboxamide

SMILES

CC(C)(c1cc(C(C)=C)ccc1)NC(N1CCN(CC(N)=O)CC1)=O

InChI

InChI=1S/C19H28N4O2/c1-14(2)15-6-5-7-16(12-15)19(3,4)21-18(25)23-10-8-22(9-11-23)13-17(20)24/h5-7,12H,1,8-11,13H2,2-4H3,(H2,20,24)(H,21,25)

InChI Key

HFIYTQJQQHGEGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04213712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.613

Distribution Coefficient, logD

1.554

Water Solubility, LogSw

-2.26

Polar Surface Area

63.242

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

6072-0044 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6072-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6072-0044?
Check Price and Availability of 6072-0044, 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 6072-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6072-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6072-0044
  • 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 6072-0044 available by request