K284-5008 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({7-[(furan-2-yl)methyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)acetamide

K284-5008 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({7-[(furan-2-yl)methyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)acetamide
K284-5008 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({7-[(furan-2-yl)methyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5008
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({7-[(furan-2-yl)methyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-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

K284-5008

Molecular Formula

C26H25N3O7S (C26 H25 N3 O7 S)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({7-[(furan-2-yl)methyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)acetamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-({7-[(furan-2-yl)methyl]-8-oxo-2H7H8H-[13]dioxolo[45-g]quinazolin-6-yl}sulfanyl)acetamide

SMILES

COc(ccc(CCNC(CSC(N1Cc2ccco2)=Nc(cc2OCOc2c2)c2C1=O)=O)c1)c1OC

InChI

InChI=1S/C26H25N3O7S/c1-32-20-6-5-16(10-21(20)33-2)7-8-27-24(30)14-37-26-28-19-12-23-22(35-15-36-23)11-18(19)25(31)29(26)13-17-4-3-9-34-17/h3-6,9-12H,7-8,13-15H2,1-2H3,(H,27,30)

InChI Key

ZKDSJDCOIHIHNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.960

Distribution Coefficient, logD

2.960

Water Solubility, LogSw

-3.53

Polar Surface Area

90.209

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

K284-5008 in Drug Discovery

Included in Screening Libraries

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 K284-5008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5008?
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What is the minimum amount of K284-5008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5008
  • 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 K284-5008 available by request