0833-0449 Screening compound: (8E)-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-1,2,3,4,5,6,7,8-octahydroquinazoline-2-thione

0833-0449 Screening compound: (8E)-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-1,2,3,4,5,6,7,8-octahydroquinazoline-2-thione
0833-0449 Screening compound: (8E)-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-1,2,3,4,5,6,7,8-octahydroquinazoline-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0833-0449
(8E)-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)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

0833-0449

Molecular Formula

C23H24N2O2S (C23 H24 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C(C(CCC/C2=C\c(cc3)ccc3OC)=C2N2)NC2=S)cc1

InChI

InChI=1S/C23H24N2O2S/c1-26-18-10-6-15(7-11-18)14-17-4-3-5-20-21(24-23(28)25-22(17)20)16-8-12-19(27-2)13-9-16/h6-14,21H,3-5H2,1-2H3,(H2,24,25,28)/t21-/m0/s1

InChI Key

LWRQTWWJJNMEKW-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00564700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.572

Distribution Coefficient, logD

4.572

Water Solubility, LogSw

-4.46

Polar Surface Area

37.968

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

0833-0449 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 0833-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0833-0449?
Check Price and Availability of 0833-0449, 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 0833-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0833-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0833-0449
  • 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 0833-0449 available by request