3535-0342 Screening compound: 2-[2-(6-methoxy-2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)-2-oxoethyl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione

3535-0342 Screening compound: 2-[2-(6-methoxy-2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)-2-oxoethyl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione
3535-0342 Screening compound: 2-[2-(6-methoxy-2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)-2-oxoethyl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3535-0342
2-[2-(6-methoxy-2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)-2-oxoethyl]-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

3535-0342

Molecular Formula

C23H21N3O6 (C23 H21 N3 O6)

Compound Name

2-[2-(6-methoxy-2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)-2-oxoethyl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[2-(6-methoxy-224-trimethyl-12-dihydroquinolin-1-yl)-2-oxoethyl]-4-nitro-23-dihydro-1H-isoindole-13-dione

SMILES

CC1(C)N(C(CN(C(c2cccc([N+]([O-])=O)c22)=O)C2=O)=O)c(ccc(OC)c2)c2C(C)=C1

InChI

InChI=1S/C23H21N3O6/c1-13-11-23(2,3)25(17-9-8-14(32-4)10-16(13)17)19(27)12-24-21(28)15-6-5-7-18(26(30)31)20(15)22(24)29/h5-11H,12H2,1-4H3

InChI Key

HFJKOSOATXHZIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01949672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.664

Distribution Coefficient, logD

2.664

Water Solubility, LogSw

-3.29

Polar Surface Area

83.946

Acid Dissociation Constant (pKa)

23.07

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

3535-0342 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3535-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3535-0342?
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What is the minimum amount of 3535-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3535-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3535-0342
  • 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 3535-0342 available by request