K284-5409 Screening compound: N-[(3-chlorophenyl)methyl]-4-({8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)benzamide

K284-5409 Screening compound: N-[(3-chlorophenyl)methyl]-4-({8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)benzamide
K284-5409 Screening compound: N-[(3-chlorophenyl)methyl]-4-({8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5409
N-[(3-chlorophenyl)methyl]-4-({8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)benzamide

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

K284-5409

Molecular Formula

C24H18ClN3O4S (C24 H18 ClN3 O4 S)

Compound Name

N-[(3-chlorophenyl)methyl]-4-({8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)benzamide

IUPAC name

N-[(3-chlorophenyl)methyl]-4-({8-oxo-6-sulfanylidene-2H5H6H7H8H-[13]dioxolo[45-g]quinazolin-7-yl}methyl)benzamide

SMILES

O=C(c1ccc(CN(C(c(cc2OCOc2c2)c2N2)=O)C2=S)cc1)NCc1cccc(Cl)c1

InChI

InChI=1S/C24H18ClN3O4S/c25-17-3-1-2-15(8-17)11-26-22(29)16-6-4-14(5-7-16)12-28-23(30)18-9-20-21(32-13-31-20)10-19(18)27-24(28)33/h1-10H,11-13H2,(H,26,29)(H,27,33)

InChI Key

VRZAYFYZNSBTQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08541342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.546

Distribution Coefficient, logD

4.539

Water Solubility, LogSw

-4.70

Polar Surface Area

68.847

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

-4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

K284-5409 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K284-5409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5409?
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What is the minimum amount of K284-5409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5409
  • 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 K284-5409 available by request