K284-5798 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]hexanamide

K284-5798 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]hexanamide
K284-5798 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-({[(4-ethoxyphenyl)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 K284-5798
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-({[(4-ethoxyphenyl)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

K284-5798

Molecular Formula

C33H34N4O8S (C33 H34 N4 O8 S)

Compound Name

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

SMILES

CCOc(cc1)ccc1NC(CSC(N1CCCCCC(NCc(cc2)cc3c2OCO3)=O)=Nc(cc2OCOc2c2)c2C1=O)=O

InChI

InChI=1S/C33H34N4O8S/c1-2-41-23-10-8-22(9-11-23)35-31(39)18-46-33-36-25-16-29-28(44-20-45-29)15-24(25)32(40)37(33)13-5-3-4-6-30(38)34-17-21-7-12-26-27(14-21)43-19-42-26/h7-12,14-16H,2-6,13,17-20H2,1H3,(H,34,38)(H,35,39)

InChI Key

XIPFMMOSHNTOAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15089002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

646.72

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.915

Distribution Coefficient, logD

4.915

Water Solubility, LogSw

-4.38

Polar Surface Area

114.725

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K284-5798 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K284-5798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5798?
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What is the minimum amount of K284-5798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5798
  • 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 K284-5798 available by request