8006-2707 Screening compound: (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl 2-(furan-2-carbonyloxy)acetate

8006-2707 Screening compound: (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl 2-(furan-2-carbonyloxy)acetate
8006-2707 Screening compound: (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl 2-(furan-2-carbonyloxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2707
(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl 2-(furan-2-carbonyloxy)acetate

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

8006-2707

Molecular Formula

C16H11NO7 (C16 H11 NO7)

Compound Name

(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl 2-(furan-2-carbonyloxy)acetate

IUPAC name

(13-dioxo-23-dihydro-1H-isoindol-2-yl)methyl 2-(furan-2-carbonyloxy)acetate

SMILES

O=C(COC(c1ccco1)=O)OCN(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C16H11NO7/c18-13(8-23-16(21)12-6-3-7-22-12)24-9-17-14(19)10-4-1-2-5-11(10)15(17)20/h1-7H,8-9H2

InChI Key

KNLYQVKQNGMFKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.27

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.140

Distribution Coefficient, logD

1.140

Water Solubility, LogSw

-1.88

Polar Surface Area

80.209

Acid Dissociation Constant (pKa)

25.66

Base Dissociation Constant (pKb)

-8.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8006-2707 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 8006-2707 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2707?
Check Price and Availability of 8006-2707, 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 8006-2707 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2707
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2707
  • 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 8006-2707 available by request