000L-1316 Screening compound: 4-tert-butylphenyl 4-butoxybenzoate

000L-1316 Screening compound: 4-tert-butylphenyl 4-butoxybenzoate
000L-1316 Screening compound: 4-tert-butylphenyl 4-butoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 000L-1316
4-tert-butylphenyl 4-butoxybenzoate

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-1316

Molecular Formula

C21H26O3 (C21 H26 O3)

Compound Name

4-tert-butylphenyl 4-butoxybenzoate

IUPAC name

4-tert-butylphenyl 4-butoxybenzoate

SMILES

CCCCOc(cc1)ccc1C(Oc1ccc(C(C)(C)C)cc1)=O

InChI

InChI=1S/C21H26O3/c1-5-6-15-23-18-11-7-16(8-12-18)20(22)24-19-13-9-17(10-14-19)21(2,3)4/h7-14H,5-6,15H2,1-4H3

InChI Key

JZEMUHOUYPOIBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.516

Distribution Coefficient, logD

6.516

Water Solubility, LogSw

-5.71

Polar Surface Area

28.034

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

000L-1316 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Immune system
Targets:
  • Nuclear receptors
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 000L-1316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 000L-1316?
Check Price and Availability of 000L-1316, 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-1316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 000L-1316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 000L-1316
  • 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-1316 available by request