8001-4175 Screening compound: 2-oxo-2-phenylethyl 4-(5-bromo-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate

8001-4175 Screening compound: 2-oxo-2-phenylethyl 4-(5-bromo-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate
8001-4175 Screening compound: 2-oxo-2-phenylethyl 4-(5-bromo-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-4175
2-oxo-2-phenylethyl 4-(5-bromo-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)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

8001-4175

Molecular Formula

C23H14BrNO5 (C23 H14 BrNO5)

Compound Name

2-oxo-2-phenylethyl 4-(5-bromo-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate

IUPAC name

2-oxo-2-phenylethyl 4-(5-bromo-13-dioxo-23-dihydro-1H-isoindol-2-yl)benzoate

SMILES

O=C(COC(c(cc1)ccc1N(C(c(cc1)c2cc1Br)=O)C2=O)=O)c1ccccc1

InChI

InChI=1S/C23H14BrNO5/c24-16-8-11-18-19(12-16)22(28)25(21(18)27)17-9-6-15(7-10-17)23(29)30-13-20(26)14-4-2-1-3-5-14/h1-12H,13H2

InChI Key

QJDDEEKAEMPUAB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.27

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.629

Distribution Coefficient, logD

4.629

Water Solubility, LogSw

-4.87

Polar Surface Area

62.984

Acid Dissociation Constant (pKa)

22.85

Base Dissociation Constant (pKb)

-8.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with 8001-4175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-4175?
Check Price and Availability of 8001-4175, 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 8001-4175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-4175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-4175
  • 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 8001-4175 available by request