K284-5785 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-({[(3-methoxypropyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]hexanamide

K284-5785 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-({[(3-methoxypropyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]hexanamide
K284-5785 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-({[(3-methoxypropyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5785
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-({[(3-methoxypropyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]hexanamide

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

K284-5785

Molecular Formula

C29H34N4O8S (C29 H34 N4 O8 S)

Compound Name

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

IUPAC name

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

SMILES

COCCCNC(CSC(N1CCCCCC(NCc(cc2)cc3c2OCO3)=O)=Nc(cc2OCOc2c2)c2C1=O)=O

InChI

InChI=1S/C29H34N4O8S/c1-37-11-5-9-30-27(35)16-42-29-32-21-14-25-24(40-18-41-25)13-20(21)28(36)33(29)10-4-2-3-6-26(34)31-15-19-7-8-22-23(12-19)39-17-38-22/h7-8,12-14H,2-6,9-11,15-18H2,1H3,(H,30,35)(H,31,34)

InChI Key

WSBJMQOXXJAVRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

598.68

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.760

Distribution Coefficient, logD

2.760

Water Solubility, LogSw

-3.40

Polar Surface Area

117.379

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

K284-5785 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with K284-5785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5785?
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What is the minimum amount of K284-5785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5785
  • 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 K284-5785 available by request