7833-1737 Screening compound: (2E)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-(3-nitrophenyl)prop-2-enamide

7833-1737 Screening compound: (2E)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-(3-nitrophenyl)prop-2-enamide
7833-1737 Screening compound: (2E)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-(3-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7833-1737
(2E)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-(3-nitrophenyl)prop-2-enamide

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

7833-1737

Molecular Formula

C16H12N4O3S (C16 H12 N4 O3 S)

Compound Name

(2E)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-(3-nitrophenyl)prop-2-enamide

IUPAC name

(2E)-N-(5-methyl-213-benzothiadiazol-4-yl)-3-(3-nitrophenyl)prop-2-enamide

SMILES

Cc(ccc1nsnc11)c1NC(/C=C/c1cc([N+]([O-])=O)ccc1)=O

InChI

InChI=1S/C16H12N4O3S/c1-10-5-7-13-16(19-24-18-13)15(10)17-14(21)8-6-11-3-2-4-12(9-11)20(22)23/h2-9H,1H3,(H,17,21)

InChI Key

KWVWZNWZAZRORJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02220440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.912

Distribution Coefficient, logD

3.911

Water Solubility, LogSw

-3.99

Polar Surface Area

76.055

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

7833-1737 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7833-1737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7833-1737?
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What is the minimum amount of 7833-1737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7833-1737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7833-1737
  • 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 7833-1737 available by request