8003-1225 Screening compound: (2{E},2'{E})-{N},{N}'-[biphenyl-4,4'-diylbis(thio-4,1-phenylene)]bis(3-phenylacrylamide)

8003-1225 Screening compound: (2{E},2'{E})-{N},{N}'-[biphenyl-4,4'-diylbis(thio-4,1-phenylene)]bis(3-phenylacrylamide)
8003-1225 Screening compound: (2{E},2'{E})-{N},{N}'-[biphenyl-4,4'-diylbis(thio-4,1-phenylene)]bis(3-phenylacrylamide) alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-1225
(2{E},2'{E})-{N},{N}'-[biphenyl-4,4'-diylbis(thio-4,1-phenylene)]bis(3-phenylacrylamide)

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

8003-1225

Molecular Formula

C42H32N2O2S2 (C42 H32 N2 O2 S2)

Compound Name

(2{E},2'{E})-{N},{N}'-[biphenyl-4,4'-diylbis(thio-4,1-phenylene)]bis(3-phenylacrylamide)

IUPAC name

(2E)-3-phenyl-N-(4-{[4'-({4-[(2E)-3-phenylprop-2-enamido]phenyl}sulfanyl)-[11'-biphenyl]-4-yl]sulfanyl}phenyl)prop-2-enamide

SMILES

O=C(/C=C/c1ccccc1)Nc(cc1)ccc1Sc(cc1)ccc1-c(cc1)ccc1Sc(cc1)ccc1NC(/C=C/c1ccccc1)=O

InChI

InChI=1S/C42H32N2O2S2/c45-41(29-11-31-7-3-1-4-8-31)43-35-17-25-39(26-18-35)47-37-21-13-33(14-22-37)34-15-23-38(24-16-34)48-40-27-19-36(20-28-40)44-42(46)30-12-32-9-5-2-6-10-32/h1-30H,(H,43,45)(H,44,46)

InChI Key

AMXAYBOJNVQKPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00635162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

660.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

11.538

Distribution Coefficient, logD

11.538

Water Solubility, LogSw

-6.58

Polar Surface Area

45.179

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8003-1225 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

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 8003-1225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-1225?
Check Price and Availability of 8003-1225, 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 8003-1225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-1225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-1225
  • 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 8003-1225 available by request