4677-0008 Screening compound: 4-{[(2-chlorophenyl)methyl]sulfanyl}-2-phenyl-5,6,7,8-tetrahydroquinazoline

4677-0008 Screening compound: 4-{[(2-chlorophenyl)methyl]sulfanyl}-2-phenyl-5,6,7,8-tetrahydroquinazoline
4677-0008 Screening compound: 4-{[(2-chlorophenyl)methyl]sulfanyl}-2-phenyl-5,6,7,8-tetrahydroquinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4677-0008
4-{[(2-chlorophenyl)methyl]sulfanyl}-2-phenyl-5,6,7,8-tetrahydroquinazoline

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

4677-0008

Molecular Formula

C21H19ClN2S (C21 H19 ClN2 S)

Compound Name

4-{[(2-chlorophenyl)methyl]sulfanyl}-2-phenyl-5,6,7,8-tetrahydroquinazoline

IUPAC name

4-{[(2-chlorophenyl)methyl]sulfanyl}-2-phenyl-5678-tetrahydroquinazoline

SMILES

Clc1c(CSc2nc(-c3ccccc3)nc3c2CCCC3)cccc1

InChI

InChI=1S/C21H19ClN2S/c22-18-12-6-4-10-16(18)14-25-21-17-11-5-7-13-19(17)23-20(24-21)15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13-14H2

InChI Key

OXRGCGWPFGTHEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03161218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.91

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.060

Distribution Coefficient, logD

6.986

Water Solubility, LogSw

-6.73

Polar Surface Area

19.819

Acid Dissociation Constant (pKa)

19.93

Base Dissociation Constant (pKb)

6.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

4677-0008 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4677-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4677-0008?
Check Price and Availability of 4677-0008, 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 4677-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4677-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4677-0008
  • 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 4677-0008 available by request