3966-0128 Screening compound: 5-chloro-2-{[(2-methoxyphenyl)amino]methyl}-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

3966-0128 Screening compound: 5-chloro-2-{[(2-methoxyphenyl)amino]methyl}-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione
3966-0128 Screening compound: 5-chloro-2-{[(2-methoxyphenyl)amino]methyl}-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-0128
5-chloro-2-{[(2-methoxyphenyl)amino]methyl}-2,3,3a,4,7,7a-hexahydro-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

3966-0128

Molecular Formula

C16H17ClN2O3 (C16 H17 ClN2 O3)

Compound Name

5-chloro-2-{[(2-methoxyphenyl)amino]methyl}-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

IUPAC name

5-chloro-2-{[(2-methoxyphenyl)amino]methyl}-233a477a-hexahydro-1H-isoindole-13-dione

SMILES

COc(cccc1)c1NCN(C(C1C2CC(Cl)=CC1)=O)C2=O

InChI

InChI=1S/C16H17ClN2O3/c1-22-14-5-3-2-4-13(14)18-9-19-15(20)11-7-6-10(17)8-12(11)16(19)21/h2-6,11-12,18H,7-9H2,1H3

InChI Key

TZIABEVQBVEVRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01174942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.436

Distribution Coefficient, logD

2.436

Water Solubility, LogSw

-3.21

Polar Surface Area

47.776

Acid Dissociation Constant (pKa)

16.60

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 3966-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-0128?
Check Price and Availability of 3966-0128, 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 3966-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-0128
  • 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 3966-0128 available by request