S400-0054 Screening compound: 1-hexadecyl-2-hydroxypropane-1,2,3-tricarboxylic acid

S400-0054 Screening compound: 1-hexadecyl-2-hydroxypropane-1,2,3-tricarboxylic acid
S400-0054 Screening compound: 1-hexadecyl-2-hydroxypropane-1,2,3-tricarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound S400-0054
1-hexadecyl-2-hydroxypropane-1,2,3-tricarboxylic 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

S400-0054

Molecular Formula

C22H40O7 (C22 H40 O7)

Compound Name

1-hexadecyl-2-hydroxypropane-1,2,3-tricarboxylic acid

IUPAC name

1-hexadecyl-2-hydroxypropane-123-tricarboxylic acid

SMILES

CCCCCCCCCCCCCCCCC(C(CC(O)=O)(C(O)=O)O)C(O)=O

InChI

InChI=1S/C22H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(25)26)22(29,21(27)28)17-19(23)24/h18,29H,2-17H2,1H3,(H,23,24)(H,25,26)(H,27,28)

InChI Key

HZLCGUXUOFWCCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00002665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

20.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.954

Distribution Coefficient, logD

1.846

Water Solubility, LogSw

-5.26

Polar Surface Area

101.246

Acid Dissociation Constant (pKa)

3.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

86.40

S400-0054 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Antiviral Annotated Library (21441 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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

References: we are preparing a list of scientific research reports with S400-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S400-0054?
Check Price and Availability of S400-0054, 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 S400-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S400-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S400-0054
  • 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 S400-0054 available by request