7793-3948 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(morpholin-4-yl)-5-nitrobenzamide

7793-3948 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(morpholin-4-yl)-5-nitrobenzamide
7793-3948 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(morpholin-4-yl)-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7793-3948
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(morpholin-4-yl)-5-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

7793-3948

Molecular Formula

C25H22N4O4S (C25 H22 N4 O4 S)

Compound Name

N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(morpholin-4-yl)-5-nitrobenzamide

IUPAC name

N-[4-(13-benzothiazol-2-yl)-2-methylphenyl]-2-(morpholin-4-yl)-5-nitrobenzamide

SMILES

Cc(cc(cc1)-c2nc(cccc3)c3s2)c1NC(c(cc(cc1)[N+]([O-])=O)c1N1CCOCC1)=O

InChI

InChI=1S/C25H22N4O4S/c1-16-14-17(25-27-21-4-2-3-5-23(21)34-25)6-8-20(16)26-24(30)19-15-18(29(31)32)7-9-22(19)28-10-12-33-13-11-28/h2-9,14-15H,10-13H2,1H3,(H,26,30)

InChI Key

HIKJIPVSHJDNLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08575389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.972

Distribution Coefficient, logD

4.971

Water Solubility, LogSw

-4.56

Polar Surface Area

76.522

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

7793-3948 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 7793-3948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7793-3948?
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What is the minimum amount of 7793-3948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7793-3948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7793-3948
  • 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 7793-3948 available by request