1606-0017 Screening compound: 2-(3-chloro-4-methylphenyl)-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione

1606-0017 Screening compound: 2-(3-chloro-4-methylphenyl)-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione
1606-0017 Screening compound: 2-(3-chloro-4-methylphenyl)-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1606-0017
2-(3-chloro-4-methylphenyl)-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione

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

1606-0017

Molecular Formula

C15H9ClN2O4 (C15 H9 ClN2 O4)

Compound Name

2-(3-chloro-4-methylphenyl)-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-(3-chloro-4-methylphenyl)-4-nitro-23-dihydro-1H-isoindole-13-dione

SMILES

Cc(ccc(N(C(c1c2c([N+]([O-])=O)ccc1)=O)C2=O)c1)c1Cl

InChI

InChI=1S/C15H9ClN2O4/c1-8-5-6-9(7-11(8)16)17-14(19)10-3-2-4-12(18(21)22)13(10)15(17)20/h2-7H,1H3

InChI Key

QTVCJNGIKCVAKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01024772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.7

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.881

Distribution Coefficient, logD

2.881

Water Solubility, LogSw

-3.79

Polar Surface Area

61.960

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-9.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with 1606-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1606-0017?
Check Price and Availability of 1606-0017, 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 1606-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1606-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1606-0017
  • 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 1606-0017 available by request