0153-0364 Screening compound: 4-ethylphenyl 3,5-di-tert-butylbenzoate

0153-0364 Screening compound: 4-ethylphenyl 3,5-di-tert-butylbenzoate
0153-0364 Screening compound: 4-ethylphenyl 3,5-di-tert-butylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0153-0364
4-ethylphenyl 3,5-di-tert-butylbenzoate

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

0153-0364

Molecular Formula

C23H30O2 (C23 H30 O2)

Compound Name

4-ethylphenyl 3,5-di-tert-butylbenzoate

IUPAC name

4-ethylphenyl 35-di-tert-butylbenzoate

SMILES

CCc(cc1)ccc1OC(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)=O

InChI

InChI=1S/C23H30O2/c1-8-16-9-11-20(12-10-16)25-21(24)17-13-18(22(2,3)4)15-19(14-17)23(5,6)7/h9-15H,8H2,1-7H3

InChI Key

PQMBCRHRHDGKCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00625170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.491

Distribution Coefficient, logD

7.491

Water Solubility, LogSw

-5.70

Polar Surface Area

20.616

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

0153-0364 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0153-0364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0153-0364?
Check Price and Availability of 0153-0364, 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 0153-0364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0153-0364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0153-0364
  • 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 0153-0364 available by request