0054-0129 Screening compound: 4-cyanophenyl 4-(4-heptylbenzoyloxy)benzoate

0054-0129 Screening compound: 4-cyanophenyl 4-(4-heptylbenzoyloxy)benzoate
0054-0129 Screening compound: 4-cyanophenyl 4-(4-heptylbenzoyloxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0054-0129
4-cyanophenyl 4-(4-heptylbenzoyloxy)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

0054-0129

Molecular Formula

C28H27NO4 (C28 H27 NO4)

Compound Name

4-cyanophenyl 4-(4-heptylbenzoyloxy)benzoate

IUPAC name

4-cyanophenyl 4-(4-heptylbenzoyloxy)benzoate

SMILES

CCCCCCCc(cc1)ccc1C(Oc(cc1)ccc1C(Oc(cc1)ccc1C#N)=O)=O

InChI

InChI=1S/C28H27NO4/c1-2-3-4-5-6-7-21-8-12-23(13-9-21)27(30)33-26-18-14-24(15-19-26)28(31)32-25-16-10-22(20-29)11-17-25/h8-19H,2-7H2,1H3

InChI Key

SAFXDBOAWDVEGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00601735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.559

Distribution Coefficient, logD

7.559

Water Solubility, LogSw

-5.74

Polar Surface Area

58.050

Acid Dissociation Constant (pKa)

26.71

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

0054-0129 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 0054-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0054-0129?
Check Price and Availability of 0054-0129, 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 0054-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0054-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0054-0129
  • 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 0054-0129 available by request