0833-0447 Screening compound: (8E)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-1,2,3,4,5,6,7,8-octahydroquinazoline-2-thione

0833-0447 Screening compound: (8E)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-1,2,3,4,5,6,7,8-octahydroquinazoline-2-thione
0833-0447 Screening compound: (8E)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-1,2,3,4,5,6,7,8-octahydroquinazoline-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0833-0447
(8E)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-1,2,3,4,5,6,7,8-octahydroquinazoline-2-thione

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

0833-0447

Molecular Formula

C21H18F2N2S (C21 H18 F2 N2 S)

Compound Name

(8E)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-1,2,3,4,5,6,7,8-octahydroquinazoline-2-thione

IUPAC name

(8E)-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-12345678-octahydroquinazoline-2-thione

SMILES

Fc1ccc(C(C(CCC/C2=C\c(cc3)ccc3F)=C2N2)NC2=S)cc1

InChI

InChI=1S/C21H18F2N2S/c22-16-8-4-13(5-9-16)12-15-2-1-3-18-19(24-21(26)25-20(15)18)14-6-10-17(23)11-7-14/h4-12,19H,1-3H2,(H2,24,25,26)/t19-/m0/s1

InChI Key

JDCHOZXTHQAWCS-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00564698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.45

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.666

Distribution Coefficient, logD

4.666

Water Solubility, LogSw

-4.76

Polar Surface Area

22.880

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

0833-0447 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0833-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0833-0447?
Check Price and Availability of 0833-0447, 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 0833-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0833-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0833-0447
  • 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 0833-0447 available by request