8007-0477 Screening compound: 2-({6-[(E)-[(2,6-dichlorophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(2,6-diethylphenyl)acetamide

8007-0477 Screening compound: 2-({6-[(E)-[(2,6-dichlorophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(2,6-diethylphenyl)acetamide
8007-0477 Screening compound: 2-({6-[(E)-[(2,6-dichlorophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(2,6-diethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-0477
2-({6-[(E)-[(2,6-dichlorophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(2,6-diethylphenyl)acetamide

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

8007-0477

Molecular Formula

C26H23Cl2N3OS2 (C26 H23 Cl2 N3 OS2)

Compound Name

2-({6-[(E)-[(2,6-dichlorophenyl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(2,6-diethylphenyl)acetamide

IUPAC name

2-({6-[(E)-[(26-dichlorophenyl)methylidene]amino]-13-benzothiazol-2-yl}sulfanyl)-N-(26-diethylphenyl)acetamide

SMILES

CCc1cccc(CC)c1NC(CSc1nc(ccc(/N=C/c(c(Cl)ccc2)c2Cl)c2)c2s1)=O

InChI

InChI=1S/C26H23Cl2N3OS2/c1-3-16-7-5-8-17(4-2)25(16)31-24(32)15-33-26-30-22-12-11-18(13-23(22)34-26)29-14-19-20(27)9-6-10-21(19)28/h5-14H,3-4,15H2,1-2H3,(H,31,32)

InChI Key

MFCQTMWUGQTBKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00762036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.948

Distribution Coefficient, logD

6.948

Water Solubility, LogSw

-6.44

Polar Surface Area

38.929

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 8007-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-0477?
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What is the minimum amount of 8007-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-0477
  • 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 8007-0477 available by request