8004-0890 Screening compound: cyclododecyl 2-benzoylbenzoate

8004-0890 Screening compound: cyclododecyl 2-benzoylbenzoate
8004-0890 Screening compound: cyclododecyl 2-benzoylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-0890
cyclododecyl 2-benzoylbenzoate

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

8004-0890

Molecular Formula

C26H32O3 (C26 H32 O3)

Compound Name

cyclododecyl 2-benzoylbenzoate

IUPAC name

cyclododecyl 2-benzoylbenzoate

SMILES

O=C(c1ccccc1)c(cccc1)c1C(OC1CCCCCCCCCCC1)=O

InChI

InChI=1S/C26H32O3/c27-25(21-15-9-8-10-16-21)23-19-13-14-20-24(23)26(28)29-22-17-11-6-4-2-1-3-5-7-12-18-22/h8-10,13-16,19-20,22H,1-7,11-12,17-18H2

InChI Key

NKHGPYNATKIQDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00342400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.757

Distribution Coefficient, logD

7.757

Water Solubility, LogSw

-6.24

Polar Surface Area

34.120

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

8004-0890 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 8004-0890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-0890?
Check Price and Availability of 8004-0890, 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 8004-0890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-0890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-0890
  • 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 8004-0890 available by request