C336-0002 Screening compound: 5-{[4-(TERT-BUTYL)BENZYL]SULFANYL}-3-PHENYLIMIDAZO[1,2-C]QUINAZOLIN-2(3H)-ONE

C336-0002 Screening compound: 5-{[4-(TERT-BUTYL)BENZYL]SULFANYL}-3-PHENYLIMIDAZO[1,2-C]QUINAZOLIN-2(3H)-ONE
C336-0002 Screening compound: 5-{[4-(TERT-BUTYL)BENZYL]SULFANYL}-3-PHENYLIMIDAZO[1,2-C]QUINAZOLIN-2(3H)-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C336-0002
5-{[4-(TERT-BUTYL)BENZYL]SULFANYL}-3-PHENYLIMIDAZO[1,2-C]QUINAZOLIN-2(3H)-ONE

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

C336-0002

Molecular Formula

C27H25N3OS (C27 H25 N3 OS)

Compound Name

5-{[4-(TERT-BUTYL)BENZYL]SULFANYL}-3-PHENYLIMIDAZO[1,2-C]QUINAZOLIN-2(3H)-ONE

IUPAC name

n/a

SMILES

CC(C)(C)c1ccc(CSC(N2C3c4ccccc4)=Nc(cccc4)c4C2=NC3=O)cc1

InChI

InChI=1S/C27H25N3OS/c1-27(2,3)20-15-13-18(14-16-20)17-32-26-28-22-12-8-7-11-21(22)24-29-25(31)23(30(24)26)19-9-5-4-6-10-19/h4-16,23H,17H2,1-3H3/t23-/m1/s1

InChI Key

UHMOVBZBIHLEAB-HSZRJFAPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.837

Distribution Coefficient, logD

5.833

Water Solubility, LogSw

-5.55

Polar Surface Area

35.199

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

C336-0002 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C336-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0002?
Check Price and Availability of C336-0002, 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 C336-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0002
  • 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 C336-0002 available by request