8006-3414 Screening compound: heptyl 4-(5-bromo-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate

8006-3414 Screening compound: heptyl 4-(5-bromo-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate
8006-3414 Screening compound: heptyl 4-(5-bromo-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-3414
heptyl 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

8006-3414

Molecular Formula

C22H22BrNO4 (C22 H22 BrNO4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H22BrNO4/c1-2-3-4-5-6-13-28-22(27)15-7-10-17(11-8-15)24-20(25)18-12-9-16(23)14-19(18)21(24)26/h7-12,14H,2-6,13H2,1H3

InChI Key

LNBPNFPHPLKJNI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.774

Distribution Coefficient, logD

6.774

Water Solubility, LogSw

-5.71

Polar Surface Area

49.928

Acid Dissociation Constant (pKa)

28.10

Base Dissociation Constant (pKb)

-8.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with 8006-3414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-3414?
Check Price and Availability of 8006-3414, 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 8006-3414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-3414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-3414
  • 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 8006-3414 available by request