8006-9652 Screening compound: 2-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methoxy]-2-oxoethyl 2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetate

8006-9652 Screening compound: 2-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methoxy]-2-oxoethyl 2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetate
8006-9652 Screening compound: 2-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methoxy]-2-oxoethyl 2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9652
2-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methoxy]-2-oxoethyl 2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)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

8006-9652

Molecular Formula

C21H13N3O10 (C21 H13 N3 O10)

Compound Name

2-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methoxy]-2-oxoethyl 2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetate

IUPAC name

2-[(13-dioxo-23-dihydro-1H-isoindol-2-yl)methoxy]-2-oxoethyl 2-(4-nitro-13-dioxo-23-dihydro-1H-isoindol-2-yl)acetate

SMILES

[O-][N+](c(cccc1C(N2CC(OCC(OCN(C(c3c4cccc3)=O)C4=O)=O)=O)=O)c1C2=O)=O

InChI

InChI=1S/C21H13N3O10/c25-15(8-22-20(29)13-6-3-7-14(24(31)32)17(13)21(22)30)33-9-16(26)34-10-23-18(27)11-4-1-2-5-12(11)19(23)28/h1-7H,8-10H2

InChI Key

HKQGKXQYTBSYJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00827622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.35

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

0.251

Distribution Coefficient, logD

0.251

Water Solubility, LogSw

-2.41

Polar Surface Area

133.640

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

-8.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 8006-9652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9652?
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What is the minimum amount of 8006-9652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9652
  • 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 8006-9652 available by request