3983-0220 Screening compound: 2-{[(3-methylphenyl)amino]methyl}-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione

3983-0220 Screening compound: 2-{[(3-methylphenyl)amino]methyl}-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione
3983-0220 Screening compound: 2-{[(3-methylphenyl)amino]methyl}-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3983-0220
2-{[(3-methylphenyl)amino]methyl}-5-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

3983-0220

Molecular Formula

C16H13N3O4 (C16 H13 N3 O4)

Compound Name

2-{[(3-methylphenyl)amino]methyl}-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-{[(3-methylphenyl)amino]methyl}-5-nitro-23-dihydro-1H-isoindole-13-dione

SMILES

Cc1cccc(NCN(C(c(cc2)c3cc2[N+]([O-])=O)=O)C3=O)c1

InChI

InChI=1S/C16H13N3O4/c1-10-3-2-4-11(7-10)17-9-18-15(20)13-6-5-12(19(22)23)8-14(13)16(18)21/h2-8,17H,9H2,1H3

InChI Key

QXQLZJVDHYOTTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00765052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.989

Distribution Coefficient, logD

2.989

Water Solubility, LogSw

-3.38

Polar Surface Area

74.033

Acid Dissociation Constant (pKa)

17.03

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 3983-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3983-0220?
Check Price and Availability of 3983-0220, 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 3983-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3983-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3983-0220
  • 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 3983-0220 available by request