K284-5712 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[7-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}propyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}butanamide

K284-5712 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[7-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}propyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}butanamide
K284-5712 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[7-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}propyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5712
N-(2H-1,3-benzodioxol-5-yl)-2-{[7-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}propyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}butanamide

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

K284-5712

Molecular Formula

C34H36N4O9S (C34 H36 N4 O9 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-{[7-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}propyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}butanamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{[7-(3-{[2-(34-dimethoxyphenyl)ethyl]carbamoyl}propyl)-8-oxo-2H7H8H-[13]dioxolo[45-g]quinazolin-6-yl]sulfanyl}butanamide

SMILES

CCC(C(Nc(cc1)cc2c1OCO2)=O)SC(N1CCCC(NCCc(cc2)cc(OC)c2OC)=O)=Nc(cc2OCOc2c2)c2C1=O

InChI

InChI=1S/C34H36N4O9S/c1-4-30(32(40)36-21-8-10-25-27(15-21)45-18-44-25)48-34-37-23-17-29-28(46-19-47-29)16-22(23)33(41)38(34)13-5-6-31(39)35-12-11-20-7-9-24(42-2)26(14-20)43-3/h7-10,14-17,30H,4-6,11-13,18-19H2,1-3H3,(H,35,39)(H,36,40)/t30-/m0/s1

InChI Key

IXXZPYXQHWYOFT-PMERELPUSA-N

MDL Number (MFCD)

MFCD15088926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

676.75

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.758

Distribution Coefficient, logD

3.758

Water Solubility, LogSw

-3.94

Polar Surface Area

122.917

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

K284-5712 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 K284-5712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5712?
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What is the minimum amount of K284-5712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5712
  • 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 K284-5712 available by request