2294-1706 Screening compound: propan-2-yl 5-[2-(4-bromophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate

2294-1706 Screening compound: propan-2-yl 5-[2-(4-bromophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
2294-1706 Screening compound: propan-2-yl 5-[2-(4-bromophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2294-1706
propan-2-yl 5-[2-(4-bromophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-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

2294-1706

Molecular Formula

C21H19BrO5 (C21 H19 BrO5)

Compound Name

propan-2-yl 5-[2-(4-bromophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

propan-2-yl 5-[2-(4-bromophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate

SMILES

CC(C)OC(c1c(C)oc(cc2)c1cc2OCC(c(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C21H19BrO5/c1-12(2)26-21(24)20-13(3)27-19-9-8-16(10-17(19)20)25-11-18(23)14-4-6-15(22)7-5-14/h4-10,12H,11H2,1-3H3

InChI Key

ZNLLJSIFGILEAC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.223

Distribution Coefficient, logD

5.223

Water Solubility, LogSw

-5.33

Polar Surface Area

49.093

Acid Dissociation Constant (pKa)

21.53

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 2294-1706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2294-1706?
Check Price and Availability of 2294-1706, 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 2294-1706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2294-1706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2294-1706
  • 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 2294-1706 available by request