1473-0597 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 4-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate

1473-0597 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 4-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate
1473-0597 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 4-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1473-0597
2-(4-bromophenyl)-2-oxoethyl 4-(4-nitro-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

1473-0597

Molecular Formula

C23H13BrN2O7 (C23 H13 BrN2 O7)

Compound Name

2-(4-bromophenyl)-2-oxoethyl 4-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate

IUPAC name

2-(4-bromophenyl)-2-oxoethyl 4-(4-nitro-13-dioxo-23-dihydro-1H-isoindol-2-yl)benzoate

SMILES

[O-][N+](c1cccc(C(N2c(cc3)ccc3C(OCC(c(cc3)ccc3Br)=O)=O)=O)c1C2=O)=O

InChI

InChI=1S/C23H13BrN2O7/c24-15-8-4-13(5-9-15)19(27)12-33-23(30)14-6-10-16(11-7-14)25-21(28)17-2-1-3-18(26(31)32)20(17)22(25)29/h1-11H,12H2

InChI Key

IFOMVLIPQOOPMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00754290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.27

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.548

Distribution Coefficient, logD

3.548

Water Solubility, LogSw

-4.11

Polar Surface Area

96.065

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

-10.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

1473-0597 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1473-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1473-0597?
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What is the minimum amount of 1473-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1473-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1473-0597
  • 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 1473-0597 available by request