K784-2006 Screening compound: methyl 4-{[3-(morpholin-4-yl)-3-oxopropyl]amino}-3-nitrobenzoate

K784-2006 Screening compound: methyl 4-{[3-(morpholin-4-yl)-3-oxopropyl]amino}-3-nitrobenzoate
K784-2006 Screening compound: methyl 4-{[3-(morpholin-4-yl)-3-oxopropyl]amino}-3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-2006
methyl 4-{[3-(morpholin-4-yl)-3-oxopropyl]amino}-3-nitrobenzoate

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

K784-2006

Molecular Formula

C15H19N3O6 (C15 H19 N3 O6)

Compound Name

methyl 4-{[3-(morpholin-4-yl)-3-oxopropyl]amino}-3-nitrobenzoate

IUPAC name

methyl 4-{[3-(morpholin-4-yl)-3-oxopropyl]amino}-3-nitrobenzoate

SMILES

COC(c(cc1)cc([N+]([O-])=O)c1NCCC(N1CCOCC1)=O)=O

InChI

InChI=1S/C15H19N3O6/c1-23-15(20)11-2-3-12(13(10-11)18(21)22)16-5-4-14(19)17-6-8-24-9-7-17/h2-3,10,16H,4-9H2,1H3

InChI Key

JMNULYGALUJAQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03450655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.054

Distribution Coefficient, logD

1.054

Water Solubility, LogSw

-2.22

Polar Surface Area

88.172

Acid Dissociation Constant (pKa)

16.46

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

K784-2006 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K784-2006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-2006?
Check Price and Availability of K784-2006, 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 K784-2006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-2006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-2006
  • 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 K784-2006 available by request