4061-0086 Screening compound: N-(4-{[7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)acetamide

4061-0086 Screening compound: N-(4-{[7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)acetamide
4061-0086 Screening compound: N-(4-{[7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4061-0086
N-(4-{[7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)acetamide

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

4061-0086

Molecular Formula

C18H18N6O5 (C18 H18 N6 O5)

Compound Name

N-(4-{[7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)acetamide

IUPAC name

N-(4-{[7-(morpholin-4-yl)-4-nitro-213-benzoxadiazol-5-yl]amino}phenyl)acetamide

SMILES

CC(Nc(cc1)ccc1Nc(cc(c1nonc11)N2CCOCC2)c1[N+]([O-])=O)=O

InChI

InChI=1S/C18H18N6O5/c1-11(25)19-12-2-4-13(5-3-12)20-14-10-15(23-6-8-28-9-7-23)16-17(22-29-21-16)18(14)24(26)27/h2-5,10,20H,6-9H2,1H3,(H,19,25)

InChI Key

VKTZQGNPIUCLOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03138213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.408

Distribution Coefficient, logD

3.408

Water Solubility, LogSw

-3.83

Polar Surface Area

112.415

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

4061-0086 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4061-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4061-0086?
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What is the minimum amount of 4061-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4061-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4061-0086
  • 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 4061-0086 available by request