3009-4111 Screening compound: 2-[1-(4-bromophenyl)-2-(4-butoxyphenyl)-4-oxoazetidin-3-yl]-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione

3009-4111 Screening compound: 2-[1-(4-bromophenyl)-2-(4-butoxyphenyl)-4-oxoazetidin-3-yl]-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione
3009-4111 Screening compound: 2-[1-(4-bromophenyl)-2-(4-butoxyphenyl)-4-oxoazetidin-3-yl]-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3009-4111
2-[1-(4-bromophenyl)-2-(4-butoxyphenyl)-4-oxoazetidin-3-yl]-5-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

3009-4111

Molecular Formula

C27H22BrN3O6 (C27 H22 BrN3 O6)

Compound Name

2-[1-(4-bromophenyl)-2-(4-butoxyphenyl)-4-oxoazetidin-3-yl]-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[1-(4-bromophenyl)-2-(4-butoxyphenyl)-4-oxoazetidin-3-yl]-5-nitro-23-dihydro-1H-isoindole-13-dione

SMILES

CCCCOc1ccc(C(C(C2=O)N(C(c(cc3)c4cc3[N+]([O-])=O)=O)C4=O)N2c(cc2)ccc2Br)cc1

InChI

InChI=1S/C27H22BrN3O6/c1-2-3-14-37-20-11-4-16(5-12-20)23-24(27(34)29(23)18-8-6-17(28)7-9-18)30-25(32)21-13-10-19(31(35)36)15-22(21)26(30)33/h4-13,15,23-24H,2-3,14H2,1H3

InChI Key

HUVNXLBAVAQCIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.049

Distribution Coefficient, logD

6.049

Water Solubility, LogSw

-5.44

Polar Surface Area

83.655

Acid Dissociation Constant (pKa)

18.95

Base Dissociation Constant (pKb)

-5.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

3009-4111 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3009-4111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3009-4111?
Check Price and Availability of 3009-4111, 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 3009-4111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3009-4111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3009-4111
  • 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 3009-4111 available by request