0606-3351 Screening compound: 4-tert-butylphenyl furan-2-carboxylate

0606-3351 Screening compound: 4-tert-butylphenyl furan-2-carboxylate
0606-3351 Screening compound: 4-tert-butylphenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0606-3351
4-tert-butylphenyl furan-2-carboxylate

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

0606-3351

Molecular Formula

C15H16O3 (C15 H16 O3)

Compound Name

4-tert-butylphenyl furan-2-carboxylate

IUPAC name

4-tert-butylphenyl furan-2-carboxylate

SMILES

CC(C)(C)c(cc1)ccc1OC(c1ccco1)=O

InChI

InChI=1S/C15H16O3/c1-15(2,3)11-6-8-12(9-7-11)18-14(16)13-5-4-10-17-13/h4-10H,1-3H3

InChI Key

XHNFPLUNQZDHIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00447000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.207

Distribution Coefficient, logD

4.207

Water Solubility, LogSw

-4.34

Polar Surface Area

29.195

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

0606-3351 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0606-3351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0606-3351?
Check Price and Availability of 0606-3351, 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 0606-3351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0606-3351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0606-3351
  • 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 0606-3351 available by request