8004-0617 Screening compound: ethyl 4-{[(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]amino}benzoate

8004-0617 Screening compound: ethyl 4-{[(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]amino}benzoate
8004-0617 Screening compound: ethyl 4-{[(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-0617
ethyl 4-{[(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]amino}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

8004-0617

Molecular Formula

C18H15N3O6 (C18 H15 N3 O6)

Compound Name

ethyl 4-{[(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]amino}benzoate

IUPAC name

ethyl 4-{[(5-nitro-13-dioxo-23-dihydro-1H-isoindol-2-yl)methyl]amino}benzoate

SMILES

CCOC(c(cc1)ccc1NCN(C(c(cc1)c2cc1[N+]([O-])=O)=O)C2=O)=O

InChI

InChI=1S/C18H15N3O6/c1-2-27-18(24)11-3-5-12(6-4-11)19-10-20-16(22)14-8-7-13(21(25)26)9-15(14)17(20)23/h3-9,19H,2,10H2,1H3

InChI Key

ONXFUVWVTDMVFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00175532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.33

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.358

Distribution Coefficient, logD

3.358

Water Solubility, LogSw

-3.64

Polar Surface Area

94.786

Acid Dissociation Constant (pKa)

15.16

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 8004-0617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-0617?
Check Price and Availability of 8004-0617, 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 8004-0617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-0617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-0617
  • 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 8004-0617 available by request