0136-0234 Screening compound: 4-(hexadecanoyloxy)phenyl 5-chloro-2-(hexadecanoyloxy)benzoate

0136-0234 Screening compound: 4-(hexadecanoyloxy)phenyl 5-chloro-2-(hexadecanoyloxy)benzoate
0136-0234 Screening compound: 4-(hexadecanoyloxy)phenyl 5-chloro-2-(hexadecanoyloxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0136-0234
4-(hexadecanoyloxy)phenyl 5-chloro-2-(hexadecanoyloxy)benzoate

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

0136-0234

Molecular Formula

C45H69ClO6 (C45 H69 ClO6)

Compound Name

4-(hexadecanoyloxy)phenyl 5-chloro-2-(hexadecanoyloxy)benzoate

IUPAC name

4-(hexadecanoyloxy)phenyl 5-chloro-2-(hexadecanoyloxy)benzoate

SMILES

CCCCCCCCCCCCCCCC(Oc(cc1)ccc1OC(c(cc(cc1)Cl)c1OC(CCCCCCCCCCCCCCC)=O)=O)=O

InChI

InChI=1S/C45H69ClO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-43(47)50-39-32-34-40(35-33-39)51-45(49)41-37-38(46)31-36-42(41)52-44(48)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-37H,3-30H2,1-2H3

InChI Key

ITZUGPQMAUELDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

741.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

35.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

17.173

Distribution Coefficient, logD

17.173

Water Solubility, LogSw

-6.43

Polar Surface Area

60.812

Acid Dissociation Constant (pKa)

22.51

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

0136-0234 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • 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 0136-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0136-0234?
Check Price and Availability of 0136-0234, 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 0136-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0136-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0136-0234
  • 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 0136-0234 available by request