8005-5085 Screening compound: 4-[4-(dodecanoylamino)benzoyl]phthalic acid

8005-5085 Screening compound: 4-[4-(dodecanoylamino)benzoyl]phthalic acid
8005-5085 Screening compound: 4-[4-(dodecanoylamino)benzoyl]phthalic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5085
4-[4-(dodecanoylamino)benzoyl]phthalic acid

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

8005-5085

Molecular Formula

C27H33NO6 (C27 H33 NO6)

Compound Name

4-[4-(dodecanoylamino)benzoyl]phthalic acid

IUPAC name

4-(4-dodecanamidobenzoyl)benzene-12-dicarboxylic acid

SMILES

CCCCCCCCCCCC(Nc(cc1)ccc1C(c(cc1)cc(C(O)=O)c1C(O)=O)=O)=O

InChI

InChI=1S/C27H33NO6/c1-2-3-4-5-6-7-8-9-10-11-24(29)28-21-15-12-19(13-16-21)25(30)20-14-17-22(26(31)32)23(18-20)27(33)34/h12-18H,2-11H2,1H3,(H,28,29)(H,31,32)(H,33,34)

InChI Key

DEEXVQWEYFSFCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00631237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.881

Distribution Coefficient, logD

1.526

Water Solubility, LogSw

-5.52

Polar Surface Area

93.671

Acid Dissociation Constant (pKa)

2.05

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.74

8005-5085 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

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:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • 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 8005-5085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5085?
Check Price and Availability of 8005-5085, 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 8005-5085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5085
  • 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 8005-5085 available by request