C609-0039 Screening compound: N-[1-(morpholin-4-yl)-1-(thiophen-2-yl)propan-2-yl]-2H-1,3-benzodioxole-5-carboxamide

C609-0039 Screening compound: N-[1-(morpholin-4-yl)-1-(thiophen-2-yl)propan-2-yl]-2H-1,3-benzodioxole-5-carboxamide
C609-0039 Screening compound: N-[1-(morpholin-4-yl)-1-(thiophen-2-yl)propan-2-yl]-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C609-0039
N-[1-(morpholin-4-yl)-1-(thiophen-2-yl)propan-2-yl]-2H-1,3-benzodioxole-5-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

C609-0039

Molecular Formula

C19H22N2O4S (C19 H22 N2 O4 S)

Compound Name

N-[1-(morpholin-4-yl)-1-(thiophen-2-yl)propan-2-yl]-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-[1-(morpholin-4-yl)-1-(thiophen-2-yl)propan-2-yl]-2H-13-benzodioxole-5-carboxamide

SMILES

CC(C(c1cccs1)N1CCOCC1)NC(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C19H22N2O4S/c1-13(18(17-3-2-10-26-17)21-6-8-23-9-7-21)20-19(22)14-4-5-15-16(11-14)25-12-24-15/h2-5,10-11,13,18H,6-9,12H2,1H3,(H,20,22)

InChI Key

BZYYYJJZEHJGRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04470740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.437

Distribution Coefficient, logD

2.437

Water Solubility, LogSw

-3.00

Polar Surface Area

52.882

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.10

C609-0039 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
Mechanism of action:
  • Epigenetic
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C609-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C609-0039?
Check Price and Availability of C609-0039, 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 C609-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C609-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C609-0039
  • 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 C609-0039 available by request