2216-0055 Screening compound: 1,5-bis[2-(4-bromophenyl)-2-oxoethyl] pentanedioate

2216-0055 Screening compound: 1,5-bis[2-(4-bromophenyl)-2-oxoethyl] pentanedioate
2216-0055 Screening compound: 1,5-bis[2-(4-bromophenyl)-2-oxoethyl] pentanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2216-0055
1,5-bis[2-(4-bromophenyl)-2-oxoethyl] pentanedioate

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

2216-0055

Molecular Formula

C21H18Br2O6 (C21 H18 Br2 O6)

Compound Name

1,5-bis[2-(4-bromophenyl)-2-oxoethyl] pentanedioate

IUPAC name

15-bis[2-(4-bromophenyl)-2-oxoethyl] pentanedioate

SMILES

O=C(COC(CCCC(OCC(c(cc1)ccc1Br)=O)=O)=O)c(cc1)ccc1Br

InChI

InChI=1S/C21H18Br2O6/c22-16-8-4-14(5-9-16)18(24)12-28-20(26)2-1-3-21(27)29-13-19(25)15-6-10-17(23)11-7-15/h4-11H,1-3,12-13H2

InChI Key

UKUFDHRGYIMXAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01232003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.18

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.449

Distribution Coefficient, logD

4.449

Water Solubility, LogSw

-4.65

Polar Surface Area

67.529

Acid Dissociation Constant (pKa)

22.30

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 2216-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2216-0055?
Check Price and Availability of 2216-0055, 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 2216-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2216-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2216-0055
  • 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 2216-0055 available by request