8006-8200 Screening compound: (E)-N-[2-(2,4-dichlorophenyl)-1H-1,3-benzodiazol-6-yl]-1-(thiophen-2-yl)methanimine

8006-8200 Screening compound: (E)-N-[2-(2,4-dichlorophenyl)-1H-1,3-benzodiazol-6-yl]-1-(thiophen-2-yl)methanimine
8006-8200 Screening compound: (E)-N-[2-(2,4-dichlorophenyl)-1H-1,3-benzodiazol-6-yl]-1-(thiophen-2-yl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8200
(E)-N-[2-(2,4-dichlorophenyl)-1H-1,3-benzodiazol-6-yl]-1-(thiophen-2-yl)methanimine

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

8006-8200

Molecular Formula

C18H11Cl2N3S (C18 H11 Cl2 N3 S)

Compound Name

(E)-N-[2-(2,4-dichlorophenyl)-1H-1,3-benzodiazol-6-yl]-1-(thiophen-2-yl)methanimine

IUPAC name

(E)-N-[2-(24-dichlorophenyl)-1H-13-benzodiazol-6-yl]-1-(thiophen-2-yl)methanimine

SMILES

Clc(cc1)cc(Cl)c1-c1nc(ccc(/N=C/c2cccs2)c2)c2[nH]1

InChI

InChI=1S/C18H11Cl2N3S/c19-11-3-5-14(15(20)8-11)18-22-16-6-4-12(9-17(16)23-18)21-10-13-2-1-7-24-13/h1-10H,(H,22,23)

InChI Key

JFOYBKAFUXCSDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00292080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.615

Distribution Coefficient, logD

5.614

Water Solubility, LogSw

-6.40

Polar Surface Area

28.404

Acid Dissociation Constant (pKa)

7.21

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8006-8200 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8006-8200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8200?
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What is the minimum amount of 8006-8200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8200
  • 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 8006-8200 available by request