4605-0211 Screening compound: 3-[2-(4-bromophenyl)-2-oxoethyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione

4605-0211 Screening compound: 3-[2-(4-bromophenyl)-2-oxoethyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione
4605-0211 Screening compound: 3-[2-(4-bromophenyl)-2-oxoethyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4605-0211
3-[2-(4-bromophenyl)-2-oxoethyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione

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

4605-0211

Molecular Formula

C22H20BrClO4 (C22 H20 BrClO4)

Compound Name

3-[2-(4-bromophenyl)-2-oxoethyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione

IUPAC name

3-[2-(4-bromophenyl)-2-oxoethyl]-6-(4-chlorophenyl)-355-trimethyloxane-24-dione

SMILES

CC(C)(C(c(cc1)ccc1Cl)OC(C1(C)CC(c(cc2)ccc2Br)=O)=O)C1=O

InChI

InChI=1S/C22H20BrClO4/c1-21(2)18(14-6-10-16(24)11-7-14)28-20(27)22(3,19(21)26)12-17(25)13-4-8-15(23)9-5-13/h4-11,18H,12H2,1-3H3

InChI Key

ZKWDOXDHFOHMPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03144177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.76

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.708

Distribution Coefficient, logD

5.708

Water Solubility, LogSw

-6.22

Polar Surface Area

47.800

Acid Dissociation Constant (pKa)

20.97

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with 4605-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4605-0211?
Check Price and Availability of 4605-0211, 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 4605-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4605-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4605-0211
  • 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 4605-0211 available by request