8008-6471 Screening compound: 2-({6-[(E)-[(anthracen-9-yl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide

8008-6471 Screening compound: 2-({6-[(E)-[(anthracen-9-yl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide
8008-6471 Screening compound: 2-({6-[(E)-[(anthracen-9-yl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6471
2-({6-[(E)-[(anthracen-9-yl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-[2-(4-chlorophenoxy)ethyl]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

8008-6471

Molecular Formula

C32H24ClN3O2S2 (C32 H24 ClN3 O2 S2)

Compound Name

2-({6-[(E)-[(anthracen-9-yl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide

IUPAC name

2-({6-[(E)-[(anthracen-9-yl)methylidene]amino]-13-benzothiazol-2-yl}sulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide

SMILES

O=C(CSc1nc(ccc(/N=C/c2c(cccc3)c3cc3ccccc23)c2)c2s1)NCCOc(cc1)ccc1Cl

InChI

InChI=1S/C32H24ClN3O2S2/c33-23-9-12-25(13-10-23)38-16-15-34-31(37)20-39-32-36-29-14-11-24(18-30(29)40-32)35-19-28-26-7-3-1-5-21(26)17-22-6-2-4-8-27(22)28/h1-14,17-19H,15-16,20H2,(H,34,37)

InChI Key

JNDLAEOUHVGUPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01205237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

582.15

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.291

Distribution Coefficient, logD

8.291

Water Solubility, LogSw

-7.00

Polar Surface Area

48.363

Acid Dissociation Constant (pKa)

15.02

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.40

8008-6471 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8008-6471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6471?
Check Price and Availability of 8008-6471, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8008-6471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6471
  • 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 8008-6471 available by request