4029-0406 Screening compound: 2-[tert-butyl(methyl)amino]ethyl 1-benzofuran-2-carboxylate

4029-0406 Screening compound: 2-[tert-butyl(methyl)amino]ethyl 1-benzofuran-2-carboxylate
4029-0406 Screening compound: 2-[tert-butyl(methyl)amino]ethyl 1-benzofuran-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4029-0406
2-[tert-butyl(methyl)amino]ethyl 1-benzofuran-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

4029-0406

Molecular Formula

C16H21NO3 (C16 H21 NO3)

Compound Name

2-[tert-butyl(methyl)amino]ethyl 1-benzofuran-2-carboxylate

IUPAC name

n/a

SMILES

CC(C)(C)N(C)CCOC(c1cc(cccc2)c2o1)=O

InChI

InChI=1S/C16H21NO3/c1-16(2,3)17(4)9-10-19-15(18)14-11-12-7-5-6-8-13(12)20-14/h5-8,11H,9-10H2,1-4H3

InChI Key

FMDBBRFVIQTACJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02735606

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

275.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.750

Distribution Coefficient, logD

2.301

Water Solubility, LogSw

-3.98

Polar Surface Area

33.479

Acid Dissociation Constant (pKa)

30.09

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

References: we are preparing a list of scientific research reports with 4029-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4029-0406?
Check Price and Availability of 4029-0406, 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 4029-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4029-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4029-0406
  • 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 4029-0406 available by request