8004-0744 Screening compound: cyclododecyl 4-hexanamidobenzoate

8004-0744 Screening compound: cyclododecyl 4-hexanamidobenzoate
8004-0744 Screening compound: cyclododecyl 4-hexanamidobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-0744
cyclododecyl 4-hexanamidobenzoate

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

8004-0744

Molecular Formula

C25H39NO3 (C25 H39 NO3)

Compound Name

cyclododecyl 4-hexanamidobenzoate

IUPAC name

cyclododecyl 4-hexanamidobenzoate

SMILES

CCCCCC(Nc(cc1)ccc1C(OC1CCCCCCCCCCC1)=O)=O

InChI

InChI=1S/C25H39NO3/c1-2-3-11-16-24(27)26-22-19-17-21(18-20-22)25(28)29-23-14-12-9-7-5-4-6-8-10-13-15-23/h17-20,23H,2-16H2,1H3,(H,26,27)

InChI Key

NBIJCYIWCJTJQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00342365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.047

Distribution Coefficient, logD

8.047

Water Solubility, LogSw

-5.84

Polar Surface Area

43.803

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.00

8004-0744 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8004-0744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-0744?
Check Price and Availability of 8004-0744, 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 8004-0744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-0744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-0744
  • 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 8004-0744 available by request