8005-4770 Screening compound: bis{4-[(Z)-[(4-methylphenyl)imino]methyl]phenyl} octanedioate

8005-4770 Screening compound: bis{4-[(Z)-[(4-methylphenyl)imino]methyl]phenyl} octanedioate
8005-4770 Screening compound: bis{4-[(Z)-[(4-methylphenyl)imino]methyl]phenyl} octanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-4770
bis{4-[(Z)-[(4-methylphenyl)imino]methyl]phenyl} octanedioate

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

8005-4770

Molecular Formula

C36H36N2O4 (C36 H36 N2 O4)

Compound Name

bis{4-[(Z)-[(4-methylphenyl)imino]methyl]phenyl} octanedioate

IUPAC name

bis{4-[(Z)-[(4-methylphenyl)imino]methyl]phenyl} octanedioate

SMILES

Cc(cc1)ccc1/N=C\c(cc1)ccc1OC(CCCCCCC(Oc1ccc(/C=N\c2ccc(C)cc2)cc1)=O)=O

InChI

InChI=1S/C36H36N2O4/c1-27-9-17-31(18-10-27)37-25-29-13-21-33(22-14-29)41-35(39)7-5-3-4-6-8-36(40)42-34-23-15-30(16-24-34)26-38-32-19-11-28(2)12-20-32/h9-26H,3-8H2,1-2H3

InChI Key

KHMHGYMLAFXSFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00819934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.537

Distribution Coefficient, logD

7.534

Water Solubility, LogSw

-5.56

Polar Surface Area

56.331

Acid Dissociation Constant (pKa)

22.51

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8005-4770 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8005-4770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-4770?
Check Price and Availability of 8005-4770, 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 8005-4770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-4770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-4770
  • 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 8005-4770 available by request