3368-0046 Screening compound: 2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

3368-0046 Screening compound: 2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
3368-0046 Screening compound: 2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3368-0046
2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

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

3368-0046

Molecular Formula

C21H19N3O2S (C21 H19 N3 O2 S)

Compound Name

2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

IUPAC name

n/a

SMILES

CC(CC1)Cc(cc2C#N)c1nc2SC(CC(N1c2ccccc2)=O)C1=O

InChI

InChI=1S/C21H19N3O2S/c1-13-7-8-17-14(9-13)10-15(12-22)20(23-17)27-18-11-19(25)24(21(18)26)16-5-3-2-4-6-16/h2-6,10,13,18H,7-9,11H2,1H3

InChI Key

AFKSUMBFJPLSIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01993977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.458

Distribution Coefficient, logD

3.458

Water Solubility, LogSw

-3.81

Polar Surface Area

56.382

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

3368-0046 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 3368-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3368-0046?
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What is the minimum amount of 3368-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3368-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3368-0046
  • 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 3368-0046 available by request