6232-4125 Screening compound: 3-amino-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4(3H)-quinazolinone

6232-4125 Screening compound: 3-amino-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4(3H)-quinazolinone
6232-4125 Screening compound: 3-amino-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4(3H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 6232-4125
3-amino-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4(3H)-quinazolinone

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

6232-4125

Molecular Formula

C16H12F3N3OS (C16 H12 F3 N3 OS)

Compound Name

3-amino-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4(3H)-quinazolinone

IUPAC name

3-amino-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-34-dihydroquinazolin-4-one

SMILES

NN1C(SCc2cc(C(F)(F)F)ccc2)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C16H12F3N3OS/c17-16(18,19)11-5-3-4-10(8-11)9-24-15-21-13-7-2-1-6-12(13)14(23)22(15)20/h1-8H,9,20H2

InChI Key

VODMPPQIGQRQAZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.955

Distribution Coefficient, logD

2.955

Water Solubility, LogSw

-3.67

Polar Surface Area

42.548

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

6232-4125 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6232-4125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6232-4125?
Check Price and Availability of 6232-4125, 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 6232-4125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6232-4125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6232-4125
  • 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 6232-4125 available by request