8016-4892 Screening compound: N-{1-methyl-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-yl}-2-(4-nitrophenoxy)acetamide

8016-4892 Screening compound: N-{1-methyl-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-yl}-2-(4-nitrophenoxy)acetamide
8016-4892 Screening compound: N-{1-methyl-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-yl}-2-(4-nitrophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4892
N-{1-methyl-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-yl}-2-(4-nitrophenoxy)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

8016-4892

Molecular Formula

C21H23N5O5 (C21 H23 N5 O5)

Compound Name

N-{1-methyl-2-[(morpholin-4-yl)methyl]-1H-1,3-benzodiazol-5-yl}-2-(4-nitrophenoxy)acetamide

IUPAC name

N-{1-methyl-2-[(morpholin-4-yl)methyl]-1H-13-benzodiazol-5-yl}-2-(4-nitrophenoxy)acetamide

SMILES

Cn1c(ccc(NC(COc(cc2)ccc2[N+]([O-])=O)=O)c2)c2nc1CN1CCOCC1

InChI

InChI=1S/C21H23N5O5/c1-24-19-7-2-15(12-18(19)23-20(24)13-25-8-10-30-11-9-25)22-21(27)14-31-17-5-3-16(4-6-17)26(28)29/h2-7,12H,8-11,13-14H2,1H3,(H,22,27)

InChI Key

RSJRRCQLIAJGAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.157

Distribution Coefficient, logD

2.131

Water Solubility, LogSw

-2.97

Polar Surface Area

87.624

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8016-4892 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8016-4892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4892?
Check Price and Availability of 8016-4892, 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 8016-4892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4892
  • 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 8016-4892 available by request