3043-0064 Screening compound: phenyl 4-{N-[(5-bromo-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]acetamido}benzoate

3043-0064 Screening compound: phenyl 4-{N-[(5-bromo-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]acetamido}benzoate
3043-0064 Screening compound: phenyl 4-{N-[(5-bromo-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3043-0064
phenyl 4-{N-[(5-bromo-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]acetamido}benzoate

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

3043-0064

Molecular Formula

C24H17BrN2O5 (C24 H17 BrN2 O5)

Compound Name

phenyl 4-{N-[(5-bromo-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]acetamido}benzoate

IUPAC name

phenyl 4-{N-[(5-bromo-13-dioxo-23-dihydro-1H-isoindol-2-yl)methyl]acetamido}benzoate

SMILES

CC(N(CN(C(c(cc1)c2cc1Br)=O)C2=O)c(cc1)ccc1C(Oc1ccccc1)=O)=O

InChI

InChI=1S/C24H17BrN2O5/c1-15(28)26(14-27-22(29)20-12-9-17(25)13-21(20)23(27)30)18-10-7-16(8-11-18)24(31)32-19-5-3-2-4-6-19/h2-13H,14H2,1H3

InChI Key

WLGBSHSHZNOUFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00221863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.500

Distribution Coefficient, logD

4.500

Water Solubility, LogSw

-4.41

Polar Surface Area

67.653

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

-6.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

3043-0064 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 3043-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3043-0064?
Check Price and Availability of 3043-0064, 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 3043-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3043-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3043-0064
  • 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 3043-0064 available by request