6049-0010 Screening compound: 4-methyl-N-[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]-3-nitrobenzamide

6049-0010 Screening compound: 4-methyl-N-[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]-3-nitrobenzamide
6049-0010 Screening compound: 4-methyl-N-[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-0010
4-methyl-N-[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]-3-nitrobenzamide

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

6049-0010

Molecular Formula

C18H17N5O5 (C18 H17 N5 O5)

Compound Name

4-methyl-N-[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]-3-nitrobenzamide

IUPAC name

4-methyl-N-[7-(morpholin-4-yl)-213-benzoxadiazol-4-yl]-3-nitrobenzamide

SMILES

Cc(ccc(C(Nc(c1nonc11)ccc1N1CCOCC1)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C18H17N5O5/c1-11-2-3-12(10-15(11)23(25)26)18(24)19-13-4-5-14(17-16(13)20-28-21-17)22-6-8-27-9-7-22/h2-5,10H,6-9H2,1H3,(H,19,24)

InChI Key

AOXOMMKJWQWMIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02612426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.410

Distribution Coefficient, logD

3.408

Water Solubility, LogSw

-3.77

Polar Surface Area

103.633

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

6049-0010 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 6049-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-0010?
Check Price and Availability of 6049-0010, 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 6049-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-0010
  • 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 6049-0010 available by request