K284-5495 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[(4-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide

K284-5495 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[(4-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide
K284-5495 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[(4-chlorophenyl)methyl]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 K284-5495
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[(4-chlorophenyl)methyl]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

K284-5495

Molecular Formula

C27H22ClN3O6S (C27 H22 ClN3 O6 S)

Compound Name

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

SMILES

O=C(CCN1C(SCc(cc2)ccc2Cl)=Nc(cc2OCOc2c2)c2C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C27H22ClN3O6S/c28-18-4-1-16(2-5-18)13-38-27-30-20-11-24-23(36-15-37-24)10-19(20)26(33)31(27)8-7-25(32)29-12-17-3-6-21-22(9-17)35-14-34-21/h1-6,9-11H,7-8,12-15H2,(H,29,32)

InChI Key

OEKZMBBEGBKRQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.01

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.708

Distribution Coefficient, logD

4.708

Water Solubility, LogSw

-4.87

Polar Surface Area

84.452

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K284-5495 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K284-5495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5495?
Check Price and Availability of K284-5495, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K284-5495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5495
  • 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 K284-5495 available by request