3009-4166 Screening compound: 2-[1-(4-bromo-3-methylphenyl)-2-(4-ethoxyphenyl)-4-oxoazetidin-3-yl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione

3009-4166 Screening compound: 2-[1-(4-bromo-3-methylphenyl)-2-(4-ethoxyphenyl)-4-oxoazetidin-3-yl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione
3009-4166 Screening compound: 2-[1-(4-bromo-3-methylphenyl)-2-(4-ethoxyphenyl)-4-oxoazetidin-3-yl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3009-4166
2-[1-(4-bromo-3-methylphenyl)-2-(4-ethoxyphenyl)-4-oxoazetidin-3-yl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-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

3009-4166

Molecular Formula

C26H20BrN3O6 (C26 H20 BrN3 O6)

Compound Name

2-[1-(4-bromo-3-methylphenyl)-2-(4-ethoxyphenyl)-4-oxoazetidin-3-yl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[1-(4-bromo-3-methylphenyl)-2-(4-ethoxyphenyl)-4-oxoazetidin-3-yl]-4-nitro-23-dihydro-1H-isoindole-13-dione

SMILES

CCOc1ccc(C(C(C2=O)N(C(c3c4c([N+]([O-])=O)ccc3)=O)C4=O)N2c(cc2)cc(C)c2Br)cc1

InChI

InChI=1S/C26H20BrN3O6/c1-3-36-17-10-7-15(8-11-17)22-23(26(33)28(22)16-9-12-19(27)14(2)13-16)29-24(31)18-5-4-6-20(30(34)35)21(18)25(29)32/h4-13,22-23H,3H2,1-2H3

InChI Key

XQGVZTABMCJFDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.37

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.309

Distribution Coefficient, logD

4.309

Water Solubility, LogSw

-4.62

Polar Surface Area

83.060

Acid Dissociation Constant (pKa)

18.95

Base Dissociation Constant (pKb)

-5.43

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.20

3009-4166 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3009-4166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3009-4166?
Check Price and Availability of 3009-4166, 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 3009-4166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3009-4166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3009-4166
  • 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 3009-4166 available by request