K284-5101 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({3-[(furan-2-yl)methyl]-6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide

K284-5101 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({3-[(furan-2-yl)methyl]-6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide
K284-5101 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({3-[(furan-2-yl)methyl]-6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5101
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({3-[(furan-2-yl)methyl]-6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide

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

K284-5101

Molecular Formula

C24H19ClF3N3O5S (C24 H19 ClF3 N3 O5 S)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({3-[(furan-2-yl)methyl]-6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({3-[(furan-2-yl)methyl]-67-dimethoxy-4-oxo-34-dihydroquinazolin-2-yl}sulfanyl)acetamide

SMILES

COc(c(OC)c1)cc(C(N2Cc3ccco3)=O)c1N=C2SCC(Nc(cc(C(F)(F)F)cc1)c1Cl)=O

InChI

InChI=1S/C24H19ClF3N3O5S/c1-34-19-9-15-17(10-20(19)35-2)30-23(31(22(15)33)11-14-4-3-7-36-14)37-12-21(32)29-18-8-13(24(26,27)28)5-6-16(18)25/h3-10H,11-12H2,1-2H3,(H,29,32)

InChI Key

GOHQIJRNAIWFCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.899

Distribution Coefficient, logD

4.879

Water Solubility, LogSw

-5.01

Polar Surface Area

71.232

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

K284-5101 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K284-5101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5101?
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What is the minimum amount of K284-5101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5101
  • 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 K284-5101 available by request