3043-0153 Screening compound: 4-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl 2-bromobenzoate

3043-0153 Screening compound: 4-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl 2-bromobenzoate
3043-0153 Screening compound: 4-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl 2-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3043-0153
4-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl 2-bromobenzoate

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

3043-0153

Molecular Formula

C22H20BrNO4 (C22 H20 BrNO4)

Compound Name

4-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl 2-bromobenzoate

IUPAC name

4-(5-methyl-13-dioxo-octahydro-1H-isoindol-2-yl)phenyl 2-bromobenzoate

SMILES

CC(CCC1C(N2c(cc3)ccc3OC(c(cccc3)c3Br)=O)=O)CC1C2=O

InChI

InChI=1S/C22H20BrNO4/c1-13-6-11-16-18(12-13)21(26)24(20(16)25)14-7-9-15(10-8-14)28-22(27)17-4-2-3-5-19(17)23/h2-5,7-10,13,16,18H,6,11-12H2,1H3

InChI Key

DNCFJPFQNZRNOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02020246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.103

Distribution Coefficient, logD

4.103

Water Solubility, LogSw

-4.31

Polar Surface Area

49.450

Acid Dissociation Constant (pKa)

17.64

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with 3043-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3043-0153?
Check Price and Availability of 3043-0153, 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 3043-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3043-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3043-0153
  • 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 3043-0153 available by request