3448-2120 Screening compound: (2E)-2-(1,3-benzothiazol-2-yl)-3-(4-chloro-3-nitrophenyl)prop-2-enenitrile

3448-2120 Screening compound: (2E)-2-(1,3-benzothiazol-2-yl)-3-(4-chloro-3-nitrophenyl)prop-2-enenitrile
3448-2120 Screening compound: (2E)-2-(1,3-benzothiazol-2-yl)-3-(4-chloro-3-nitrophenyl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-2120
(2E)-2-(1,3-benzothiazol-2-yl)-3-(4-chloro-3-nitrophenyl)prop-2-enenitrile

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

3448-2120

Molecular Formula

C16H8ClN3O2S (C16 H8 ClN3 O2 S)

Compound Name

(2E)-2-(1,3-benzothiazol-2-yl)-3-(4-chloro-3-nitrophenyl)prop-2-enenitrile

IUPAC name

(2E)-2-(13-benzothiazol-2-yl)-3-(4-chloro-3-nitrophenyl)prop-2-enenitrile

SMILES

N#C/C(/c1nc(cccc2)c2s1)=C\c(cc1)cc([N+]([O-])=O)c1Cl

InChI

InChI=1S/C16H8ClN3O2S/c17-12-6-5-10(8-14(12)20(21)22)7-11(9-18)16-19-13-3-1-2-4-15(13)23-16/h1-8H

InChI Key

TVVHSTBWVFTPQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01784728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.751

Distribution Coefficient, logD

4.751

Water Solubility, LogSw

-5.25

Polar Surface Area

59.824

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3448-2120 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3448-2120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-2120?
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What is the minimum amount of 3448-2120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-2120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-2120
  • 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 3448-2120 available by request