8007-5604 Screening compound: 4-chloro-2-[(E)-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]imino}methyl]phenol

8007-5604 Screening compound: 4-chloro-2-[(E)-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]imino}methyl]phenol
8007-5604 Screening compound: 4-chloro-2-[(E)-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]imino}methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-5604
4-chloro-2-[(E)-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]imino}methyl]phenol

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

8007-5604

Molecular Formula

C17H13ClN2OS2 (C17 H13 ClN2 OS2)

Compound Name

4-chloro-2-[(E)-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]imino}methyl]phenol

IUPAC name

4-chloro-2-[(E)-{[2-(prop-2-en-1-ylsulfanyl)-13-benzothiazol-6-yl]imino}methyl]phenol

SMILES

C=CCSc1nc(ccc(/N=C/c(cc(cc2)Cl)c2O)c2)c2s1

InChI

InChI=1S/C17H13ClN2OS2/c1-2-7-22-17-20-14-5-4-13(9-16(14)23-17)19-10-11-8-12(18)3-6-15(11)21/h2-6,8-10,21H,1,7H2

InChI Key

IMMOJDCWTWGHLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00714124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.731

Distribution Coefficient, logD

5.661

Water Solubility, LogSw

-5.82

Polar Surface Area

33.995

Acid Dissociation Constant (pKa)

8.16

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

8007-5604 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8007-5604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-5604?
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What is the minimum amount of 8007-5604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-5604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-5604
  • 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 8007-5604 available by request