3993-1435 Screening compound: 3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

3993-1435 Screening compound: 3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
3993-1435 Screening compound: 3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3993-1435
3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-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

3993-1435

Molecular Formula

C19H18Cl2N2S (C19 H18 Cl2 N2 S)

Compound Name

3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

IUPAC name

3-{[(24-dichlorophenyl)methyl]sulfanyl}-1-ethyl-5678-tetrahydroisoquinoline-4-carbonitrile

SMILES

CCc(nc1SCc(ccc(Cl)c2)c2Cl)c(CCCC2)c2c1C#N

InChI

InChI=1S/C19H18Cl2N2S/c1-2-18-15-6-4-3-5-14(15)16(10-22)19(23-18)24-11-12-7-8-13(20)9-17(12)21/h7-9H,2-6,11H2,1H3

InChI Key

VHAZJZRKIFNABB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02328736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.725

Distribution Coefficient, logD

6.725

Water Solubility, LogSw

-6.83

Polar Surface Area

26.957

Acid Dissociation Constant (pKa)

23.00

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

3993-1435 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3993-1435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3993-1435?
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What is the minimum amount of 3993-1435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3993-1435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3993-1435
  • 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 3993-1435 available by request