0627-0226 Screening compound: pentyl 4-(5-bromo-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate

0627-0226 Screening compound: pentyl 4-(5-bromo-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate
0627-0226 Screening compound: pentyl 4-(5-bromo-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0627-0226
pentyl 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

0627-0226

Molecular Formula

C20H18BrNO4 (C20 H18 BrNO4)

Compound Name

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

IUPAC name

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

SMILES

CCCCCOC(c(cc1)ccc1N(C(c(cc1)c2cc1Br)=O)C2=O)=O

InChI

InChI=1S/C20H18BrNO4/c1-2-3-4-11-26-20(25)13-5-8-15(9-6-13)22-18(23)16-10-7-14(21)12-17(16)19(22)24/h5-10,12H,2-4,11H2,1H3

InChI Key

DJFNBSUJZKLJDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00371687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.782

Distribution Coefficient, logD

5.782

Water Solubility, LogSw

-5.39

Polar Surface Area

49.928

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-8.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

0627-0226 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0627-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0627-0226?
Check Price and Availability of 0627-0226, 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 0627-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0627-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0627-0226
  • 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 0627-0226 available by request