C609-0014 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[1-(morpholin-4-yl)-1-(thiophen-2-yl)propan-2-yl]ethanediamide

C609-0014 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[1-(morpholin-4-yl)-1-(thiophen-2-yl)propan-2-yl]ethanediamide
C609-0014 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[1-(morpholin-4-yl)-1-(thiophen-2-yl)propan-2-yl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C609-0014
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[1-(morpholin-4-yl)-1-(thiophen-2-yl)propan-2-yl]ethanediamide

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

C609-0014

Molecular Formula

C21H25N3O5S (C21 H25 N3 O5 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[1-(morpholin-4-yl)-1-(thiophen-2-yl)propan-2-yl]ethanediamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-N'-[1-(morpholin-4-yl)-1-(thiophen-2-yl)propan-2-yl]ethanediamide

SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-14(19(18-3-2-10-30-18)24-6-8-27-9-7-24)23-21(26)20(25)22-12-15-4-5-16-17(11-15)29-13-28-16/h2-5,10-11,14,19H,6-9,12-13H2,1H3,(H,22,25)(H,23,26)

InChI Key

IIFZOFCONCABJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05712872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.703

Distribution Coefficient, logD

1.697

Water Solubility, LogSw

-2.50

Polar Surface Area

77.567

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

C609-0014 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C609-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C609-0014?
Check Price and Availability of C609-0014, 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 C609-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C609-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C609-0014
  • 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 C609-0014 available by request