3289-6144 Screening compound: 5-(6-bromo-4-oxo-4H-3,1-benzoxazin-2-yl)-2-(2-methylphenyl)-2,3-dihydro-1H-isoindole-1,3-dione

3289-6144 Screening compound: 5-(6-bromo-4-oxo-4H-3,1-benzoxazin-2-yl)-2-(2-methylphenyl)-2,3-dihydro-1H-isoindole-1,3-dione
3289-6144 Screening compound: 5-(6-bromo-4-oxo-4H-3,1-benzoxazin-2-yl)-2-(2-methylphenyl)-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3289-6144
5-(6-bromo-4-oxo-4H-3,1-benzoxazin-2-yl)-2-(2-methylphenyl)-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

3289-6144

Molecular Formula

C23H13BrN2O4 (C23 H13 BrN2 O4)

Compound Name

5-(6-bromo-4-oxo-4H-3,1-benzoxazin-2-yl)-2-(2-methylphenyl)-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

5-(6-bromo-4-oxo-4H-31-benzoxazin-2-yl)-2-(2-methylphenyl)-23-dihydro-1H-isoindole-13-dione

SMILES

Cc(cccc1)c1N(C(c(cc1)c2cc1C(O1)=Nc(ccc(Br)c3)c3C1=O)=O)C2=O

InChI

InChI=1S/C23H13BrN2O4/c1-12-4-2-3-5-19(12)26-21(27)15-8-6-13(10-16(15)22(26)28)20-25-18-9-7-14(24)11-17(18)23(29)30-20/h2-11H,1H3

InChI Key

ZKFXBSDCLSONKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01137426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.727

Distribution Coefficient, logD

4.727

Water Solubility, LogSw

-4.60

Polar Surface Area

58.526

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

3289-6144 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3289-6144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3289-6144?
Check Price and Availability of 3289-6144, 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 3289-6144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3289-6144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3289-6144
  • 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 3289-6144 available by request