K284-5859 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-({[(5-methyl-1H-pyrazol-3-yl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl}benzamide

K284-5859 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-({[(5-methyl-1H-pyrazol-3-yl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl}benzamide
K284-5859 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-({[(5-methyl-1H-pyrazol-3-yl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5859
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-({[(5-methyl-1H-pyrazol-3-yl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,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

K284-5859

Molecular Formula

C31H26N6O7S (C31 H26 N6 O7 S)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-{[6-({[(5-methyl-1H-pyrazol-3-yl)carbamoyl]methyl}sulfanyl)-8-oxo-2H7H8H-[13]dioxolo[45-g]quinazolin-7-yl]methyl}benzamide

SMILES

Cc1cc(NC(CSC(N2Cc(cc3)ccc3C(NCc(cc3)cc4c3OCO4)=O)=Nc(cc3OCOc3c3)c3C2=O)=O)n[nH]1

InChI

InChI=1S/C31H26N6O7S/c1-17-8-27(36-35-17)34-28(38)14-45-31-33-22-11-26-25(43-16-44-26)10-21(22)30(40)37(31)13-18-2-5-20(6-3-18)29(39)32-12-19-4-7-23-24(9-19)42-15-41-23/h2-11H,12-16H2,1H3,(H,32,39)(H2,34,35,36,38)

InChI Key

VRFFYTDTZQVBLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15089053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

626.65

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

4.115

Distribution Coefficient, logD

4.114

Water Solubility, LogSw

-4.27

Polar Surface Area

130.700

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.40

K284-5859 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 K284-5859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5859?
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What is the minimum amount of K284-5859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5859
  • 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 K284-5859 available by request