K284-5489 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide

K284-5489 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide
K284-5489 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5489
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide

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

K284-5489

Molecular Formula

C28H22BrN3O7S (C28 H22 BrN3 O7 S)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-(6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H7H8H-[13]dioxolo[45-g]quinazolin-7-yl)propanamide

SMILES

O=C(CSC(N1CCC(NCc(cc2)cc3c2OCO3)=O)=Nc(cc2OCOc2c2)c2C1=O)c(cc1)ccc1Br

InChI

InChI=1S/C28H22BrN3O7S/c29-18-4-2-17(3-5-18)21(33)13-40-28-31-20-11-25-24(38-15-39-25)10-19(20)27(35)32(28)8-7-26(34)30-12-16-1-6-22-23(9-16)37-14-36-22/h1-6,9-11H,7-8,12-15H2,(H,30,34)

InChI Key

QRIOFIXJGPKSAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

624.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.750

Distribution Coefficient, logD

4.750

Water Solubility, LogSw

-4.65

Polar Surface Area

97.699

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with K284-5489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5489?
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What is the minimum amount of K284-5489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5489
  • 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 K284-5489 available by request