3061-4415 Screening compound: 2-[1-(4-bromo-3-methylphenyl)-2-oxo-4-(thiophen-2-yl)azetidin-3-yl]-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione

3061-4415 Screening compound: 2-[1-(4-bromo-3-methylphenyl)-2-oxo-4-(thiophen-2-yl)azetidin-3-yl]-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione
3061-4415 Screening compound: 2-[1-(4-bromo-3-methylphenyl)-2-oxo-4-(thiophen-2-yl)azetidin-3-yl]-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3061-4415
2-[1-(4-bromo-3-methylphenyl)-2-oxo-4-(thiophen-2-yl)azetidin-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

3061-4415

Molecular Formula

C22H14BrN3O5S (C22 H14 BrN3 O5 S)

Compound Name

2-[1-(4-bromo-3-methylphenyl)-2-oxo-4-(thiophen-2-yl)azetidin-3-yl]-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[1-(4-bromo-3-methylphenyl)-2-oxo-4-(thiophen-2-yl)azetidin-3-yl]-5-nitro-23-dihydro-1H-isoindole-13-dione

SMILES

Cc(cc(cc1)N(C(C2N(C(c(cc3)c4cc3[N+]([O-])=O)=O)C4=O)c3cccs3)C2=O)c1Br

InChI

InChI=1S/C22H14BrN3O5S/c1-11-9-12(5-7-16(11)23)24-18(17-3-2-8-32-17)19(22(24)29)25-20(27)14-6-4-13(26(30)31)10-15(14)21(25)28/h2-10,18-19H,1H3

InChI Key

GCWNBXCJMFEZMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.34

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.704

Distribution Coefficient, logD

4.704

Water Solubility, LogSw

-4.69

Polar Surface Area

77.255

Acid Dissociation Constant (pKa)

19.11

Base Dissociation Constant (pKb)

-5.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

13.60

3061-4415 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3061-4415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3061-4415?
Check Price and Availability of 3061-4415, 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 3061-4415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3061-4415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3061-4415
  • 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 3061-4415 available by request