000L-0516 Screening compound: 4-(methylsulfanyl)phenyl 4-heptylbenzoate

000L-0516 Screening compound: 4-(methylsulfanyl)phenyl 4-heptylbenzoate
000L-0516 Screening compound: 4-(methylsulfanyl)phenyl 4-heptylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 000L-0516
4-(methylsulfanyl)phenyl 4-heptylbenzoate

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

000L-0516

Molecular Formula

C21H26O2S (C21 H26 O2 S)

Compound Name

4-(methylsulfanyl)phenyl 4-heptylbenzoate

IUPAC name

4-(methylsulfanyl)phenyl 4-heptylbenzoate

SMILES

CCCCCCCc(cc1)ccc1C(Oc(cc1)ccc1SC)=O

InChI

InChI=1S/C21H26O2S/c1-3-4-5-6-7-8-17-9-11-18(12-10-17)21(22)23-19-13-15-20(24-2)16-14-19/h9-16H,3-8H2,1-2H3

InChI Key

WDVKVOWRWPQRRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.524

Distribution Coefficient, logD

7.524

Water Solubility, LogSw

-5.78

Polar Surface Area

20.616

Acid Dissociation Constant (pKa)

26.71

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

000L-0516 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 000L-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 000L-0516?
Check Price and Availability of 000L-0516, 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 000L-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 000L-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 000L-0516
  • 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 000L-0516 available by request