8005-3564 Screening compound: 4-{1-[4-(3-methoxybenzoyloxy)phenyl]cyclopentyl}phenyl 3-methoxybenzoate

8005-3564 Screening compound: 4-{1-[4-(3-methoxybenzoyloxy)phenyl]cyclopentyl}phenyl 3-methoxybenzoate
8005-3564 Screening compound: 4-{1-[4-(3-methoxybenzoyloxy)phenyl]cyclopentyl}phenyl 3-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-3564
4-{1-[4-(3-methoxybenzoyloxy)phenyl]cyclopentyl}phenyl 3-methoxybenzoate

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

8005-3564

Molecular Formula

C33H30O6 (C33 H30 O6)

Compound Name

4-{1-[4-(3-methoxybenzoyloxy)phenyl]cyclopentyl}phenyl 3-methoxybenzoate

IUPAC name

4-{1-[4-(3-methoxybenzoyloxy)phenyl]cyclopentyl}phenyl 3-methoxybenzoate

SMILES

COc1cccc(C(Oc2ccc(C3(CCCC3)c(cc3)ccc3OC(c3cc(OC)ccc3)=O)cc2)=O)c1

InChI

InChI=1S/C33H30O6/c1-36-29-9-5-7-23(21-29)31(34)38-27-15-11-25(12-16-27)33(19-3-4-20-33)26-13-17-28(18-14-26)39-32(35)24-8-6-10-30(22-24)37-2/h5-18,21-22H,3-4,19-20H2,1-2H3

InChI Key

VWJCWQAZOMSQJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00311606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.849

Distribution Coefficient, logD

6.849

Water Solubility, LogSw

-5.75

Polar Surface Area

56.097

Acid Dissociation Constant (pKa)

23.97

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.20

8005-3564 in Drug Discovery

Included in Screening Libraries

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8005-3564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-3564?
Check Price and Availability of 8005-3564, 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 8005-3564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-3564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-3564
  • 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 8005-3564 available by request