0644-0061 Screening compound: (E)-N'-[bis(morpholin-4-yl)phosphoroso]-N-ethyl-N-(4-methoxyphenyl)morpholine-4-carboximidamide

0644-0061 Screening compound: (E)-N'-[bis(morpholin-4-yl)phosphoroso]-N-ethyl-N-(4-methoxyphenyl)morpholine-4-carboximidamide
0644-0061 Screening compound: (E)-N'-[bis(morpholin-4-yl)phosphoroso]-N-ethyl-N-(4-methoxyphenyl)morpholine-4-carboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0644-0061
(E)-N'-[bis(morpholin-4-yl)phosphoroso]-N-ethyl-N-(4-methoxyphenyl)morpholine-4-carboximidamide

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

0644-0061

Molecular Formula

C22H36N5O5P (C22 H36 N5 O5 P)

Compound Name

(E)-N'-[bis(morpholin-4-yl)phosphoroso]-N-ethyl-N-(4-methoxyphenyl)morpholine-4-carboximidamide

IUPAC name

(E)-N'-[bis(morpholin-4-yl)phosphoroso]-N-ethyl-N-(4-methoxyphenyl)morpholine-4-carboximidamide

SMILES

CCN(/C(/N1CCOCC1)=N/P(N1CCOCC1)(N1CCOCC1)=O)c(cc1)ccc1OC

InChI

InChI=1S/C22H36N5O5P/c1-3-27(20-4-6-21(29-2)7-5-20)22(24-8-14-30-15-9-24)23-33(28,25-10-16-31-17-11-25)26-12-18-32-19-13-26/h4-7H,3,8-19H2,1-2H3

InChI Key

LVXSWNVOSJJFHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00222589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.192

Distribution Coefficient, logD

1.189

Water Solubility, LogSw

-1.75

Polar Surface Area

66.908

Acid Dissociation Constant (pKa)

29.10

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.20

0644-0061 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0644-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0644-0061?
Check Price and Availability of 0644-0061, 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 0644-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0644-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0644-0061
  • 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 0644-0061 available by request