8008-8503 Screening compound: (E)-1-(1,3-benzothiazol-2-yl)-2-(4-methoxy-3-nitrophenyl)-1-ethenyl cyanide

8008-8503 Screening compound: (E)-1-(1,3-benzothiazol-2-yl)-2-(4-methoxy-3-nitrophenyl)-1-ethenyl cyanide
8008-8503 Screening compound: (E)-1-(1,3-benzothiazol-2-yl)-2-(4-methoxy-3-nitrophenyl)-1-ethenyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8503
(E)-1-(1,3-benzothiazol-2-yl)-2-(4-methoxy-3-nitrophenyl)-1-ethenyl cyanide

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

8008-8503

Molecular Formula

C17H11N3O3S (C17 H11 N3 O3 S)

Compound Name

(E)-1-(1,3-benzothiazol-2-yl)-2-(4-methoxy-3-nitrophenyl)-1-ethenyl cyanide

IUPAC name

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

SMILES

COc(ccc(/C=C(/c1nc(cccc2)c2s1)\C#N)c1)c1[N+]([O-])=O

InChI

InChI=1S/C17H11N3O3S/c1-23-15-7-6-11(9-14(15)20(21)22)8-12(10-18)17-19-13-4-2-3-5-16(13)24-17/h2-9H,1H3

InChI Key

SDZQNUYQWCPOGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01465215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.035

Distribution Coefficient, logD

4.035

Water Solubility, LogSw

-4.26

Polar Surface Area

67.455

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

References: we are preparing a list of scientific research reports with 8008-8503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8503?
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What is the minimum amount of 8008-8503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8503
  • 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 8008-8503 available by request