0606-6054 Screening compound: 4-[(heptyloxy)carbonyl]phenyl 5-bromofuran-2-carboxylate

0606-6054 Screening compound: 4-[(heptyloxy)carbonyl]phenyl 5-bromofuran-2-carboxylate
0606-6054 Screening compound: 4-[(heptyloxy)carbonyl]phenyl 5-bromofuran-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0606-6054
4-[(heptyloxy)carbonyl]phenyl 5-bromofuran-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

0606-6054

Molecular Formula

C19H21BrO5 (C19 H21 BrO5)

Compound Name

4-[(heptyloxy)carbonyl]phenyl 5-bromofuran-2-carboxylate

IUPAC name

4-[(heptyloxy)carbonyl]phenyl 5-bromofuran-2-carboxylate

SMILES

CCCCCCCOC(c(cc1)ccc1OC(c(o1)ccc1Br)=O)=O

InChI

InChI=1S/C19H21BrO5/c1-2-3-4-5-6-13-23-18(21)14-7-9-15(10-8-14)24-19(22)16-11-12-17(20)25-16/h7-12H,2-6,13H2,1H3

InChI Key

RKPMPVPMDPTLRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.420

Distribution Coefficient, logD

6.420

Water Solubility, LogSw

-5.77

Polar Surface Area

50.590

Acid Dissociation Constant (pKa)

28.10

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 0606-6054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0606-6054?
Check Price and Availability of 0606-6054, 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 0606-6054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0606-6054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0606-6054
  • 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 0606-6054 available by request