6186-3072 Screening compound: 2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate

6186-3072 Screening compound: 2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate
6186-3072 Screening compound: 2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6186-3072
2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate

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

6186-3072

Molecular Formula

C23H24N2O4 (C23 H24 N2 O4)

Compound Name

2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate

IUPAC name

224-trimethyl-1234-tetrahydroquinolin-6-yl 2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)propanoate

SMILES

CC(C(Oc(cc1)cc2c1NC(C)(C)CC2C)=O)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C23H24N2O4/c1-13-12-23(3,4)24-19-10-9-15(11-18(13)19)29-22(28)14(2)25-20(26)16-7-5-6-8-17(16)21(25)27/h5-11,13-14,24H,12H2,1-4H3

InChI Key

YQDJHIQTWKFJCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03290896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.836

Distribution Coefficient, logD

2.879

Water Solubility, LogSw

-4.20

Polar Surface Area

60.680

Acid Dissociation Constant (pKa)

20.11

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.80

6186-3072 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 6186-3072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6186-3072?
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What is the minimum amount of 6186-3072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6186-3072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6186-3072
  • 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 6186-3072 available by request