8018-4041 Screening compound: N~1~-(5-methyl-3-isoxazolyl)-N~2~-[4-(morpholinomethyl)benzyl]ethanediamide

8018-4041 Screening compound: N~1~-(5-methyl-3-isoxazolyl)-N~2~-[4-(morpholinomethyl)benzyl]ethanediamide
8018-4041 Screening compound: N~1~-(5-methyl-3-isoxazolyl)-N~2~-[4-(morpholinomethyl)benzyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4041
N~1~-(5-methyl-3-isoxazolyl)-N~2~-[4-(morpholinomethyl)benzyl]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

8018-4041

Molecular Formula

C18H22N4O4 (C18 H22 N4 O4)

Compound Name

N~1~-(5-methyl-3-isoxazolyl)-N~2~-[4-(morpholinomethyl)benzyl]ethanediamide

IUPAC name

N-(5-methyl-12-oxazol-3-yl)-N'-({4-[(morpholin-4-yl)methyl]phenyl}methyl)ethanediamide

SMILES

Cc1cc(NC(C(NCc2ccc(CN3CCOCC3)cc2)=O)=O)no1

InChI

InChI=1S/C18H22N4O4/c1-13-10-16(21-26-13)20-18(24)17(23)19-11-14-2-4-15(5-3-14)12-22-6-8-25-9-7-22/h2-5,10H,6-9,11-12H2,1H3,(H,19,23)(H,20,21,24)

InChI Key

CYLRXGPTQZCJJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07607105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.069

Distribution Coefficient, logD

-1.970

Water Solubility, LogSw

-2.30

Polar Surface Area

81.451

Acid Dissociation Constant (pKa)

4.36

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

8018-4041 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 8018-4041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4041?
Check Price and Availability of 8018-4041, 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 8018-4041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4041
  • 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 8018-4041 available by request