8338-0996 Screening compound: 2-(morpholin-4-yl)-5-nitro-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)benzamide

8338-0996 Screening compound: 2-(morpholin-4-yl)-5-nitro-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)benzamide
8338-0996 Screening compound: 2-(morpholin-4-yl)-5-nitro-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8338-0996
2-(morpholin-4-yl)-5-nitro-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)benzamide

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

8338-0996

Molecular Formula

C23H20N6O4 (C23 H20 N6 O4)

Compound Name

2-(morpholin-4-yl)-5-nitro-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)benzamide

IUPAC name

2-(morpholin-4-yl)-5-nitro-N-(2-phenyl-2H-123-benzotriazol-5-yl)benzamide

SMILES

[O-][N+](c(cc1)cc(C(Nc2cc3nn(-c4ccccc4)nc3cc2)=O)c1N1CCOCC1)=O

InChI

InChI=1S/C23H20N6O4/c30-23(19-15-18(29(31)32)7-9-22(19)27-10-12-33-13-11-27)24-16-6-8-20-21(14-16)26-28(25-20)17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H,24,30)

InChI Key

XBBOWWASKBUCMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06630880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.925

Distribution Coefficient, logD

3.641

Water Solubility, LogSw

-4.12

Polar Surface Area

91.805

Acid Dissociation Constant (pKa)

7.44

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

8338-0996 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8338-0996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8338-0996?
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What is the minimum amount of 8338-0996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8338-0996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8338-0996
  • 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 8338-0996 available by request