6360-0001 Screening compound: 3-(6-nitro-1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid

6360-0001 Screening compound: 3-(6-nitro-1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid
6360-0001 Screening compound: 3-(6-nitro-1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6360-0001
3-(6-nitro-1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid

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

6360-0001

Molecular Formula

C11H10N2O5 (C11 H10 N2 O5)

Compound Name

3-(6-nitro-1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid

IUPAC name

3-(6-nitro-1-oxo-23-dihydro-1H-isoindol-2-yl)propanoic acid

SMILES

[O-][N+](c1cc(C(N(CCC(O)=O)C2)=O)c2cc1)=O

InChI

InChI=1S/C11H10N2O5/c14-10(15)3-4-12-6-7-1-2-8(13(17)18)5-9(7)11(12)16/h1-2,5H,3-4,6H2,(H,14,15)

InChI Key

IOYOGBORAPALCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04216851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.21

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.078

Distribution Coefficient, logD

-2.618

Water Solubility, LogSw

-2.18

Polar Surface Area

78.900

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

6360-0001 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 6360-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6360-0001?
Check Price and Availability of 6360-0001, 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 6360-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6360-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6360-0001
  • 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 6360-0001 available by request