K284-0681 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one

K284-0681 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one
K284-0681 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-0681
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-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

K284-0681

Molecular Formula

C26H23F3N2O4S (C26 H23 F3 N2 O4 S)

Compound Name

3-[2-(3,4-dimethoxyphenyl)ethyl]-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one

IUPAC name

3-[2-(34-dimethoxyphenyl)ethyl]-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-34-dihydroquinazolin-4-one

SMILES

COc(ccc(CCN1C(SCc(cc2)ccc2OC(F)(F)F)=Nc(cccc2)c2C1=O)c1)c1OC

InChI

InChI=1S/C26H23F3N2O4S/c1-33-22-12-9-17(15-23(22)34-2)13-14-31-24(32)20-5-3-4-6-21(20)30-25(31)36-16-18-7-10-19(11-8-18)35-26(27,28)29/h3-12,15H,13-14,16H2,1-2H3

InChI Key

QRIDXDCYLWYNTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.297

Distribution Coefficient, logD

5.297

Water Solubility, LogSw

-5.26

Polar Surface Area

46.947

Acid Dissociation Constant (pKa)

26.28

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

K284-0681 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K284-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-0681?
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What is the minimum amount of K284-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-0681
  • 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 K284-0681 available by request