7916-0794 Screening compound: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-(morpholin-4-yl)-3-nitrobenzamide

7916-0794 Screening compound: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-(morpholin-4-yl)-3-nitrobenzamide
7916-0794 Screening compound: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-(morpholin-4-yl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7916-0794
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-(morpholin-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

7916-0794

Molecular Formula

C17H14ClN5O4S (C17 H14 ClN5 O4 S)

Compound Name

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-(morpholin-4-yl)-3-nitrobenzamide

IUPAC name

N-(5-chloro-213-benzothiadiazol-4-yl)-4-(morpholin-4-yl)-3-nitrobenzamide

SMILES

[O-][N+](c(cc(cc1)C(Nc(c2nsnc2cc2)c2Cl)=O)c1N1CCOCC1)=O

InChI

InChI=1S/C17H14ClN5O4S/c18-11-2-3-12-16(21-28-20-12)15(11)19-17(24)10-1-4-13(14(9-10)23(25)26)22-5-7-27-8-6-22/h1-4,9H,5-8H2,(H,19,24)

InChI Key

DNSPMTAQIVUFJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07436324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.85

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.954

Distribution Coefficient, logD

1.562

Water Solubility, LogSw

-3.72

Polar Surface Area

87.027

Acid Dissociation Constant (pKa)

6.03

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

7916-0794 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7916-0794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7916-0794?
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What is the minimum amount of 7916-0794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7916-0794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7916-0794
  • 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 7916-0794 available by request