K284-4531 Screening compound: ethyl 8-({[7-(4-carbamoylpiperidine-1-carbonyl)-3-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)-2,4-dihydro-1,3-benzodioxine-6-carboxylate

K284-4531 Screening compound: ethyl 8-({[7-(4-carbamoylpiperidine-1-carbonyl)-3-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)-2,4-dihydro-1,3-benzodioxine-6-carboxylate
K284-4531 Screening compound: ethyl 8-({[7-(4-carbamoylpiperidine-1-carbonyl)-3-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)-2,4-dihydro-1,3-benzodioxine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4531
ethyl 8-({[7-(4-carbamoylpiperidine-1-carbonyl)-3-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)-2,4-dihydro-1,3-benzodioxine-6-carboxylate

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

K284-4531

Molecular Formula

C32H32N4O8S (C32 H32 N4 O8 S)

Compound Name

ethyl 8-({[7-(4-carbamoylpiperidine-1-carbonyl)-3-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)-2,4-dihydro-1,3-benzodioxine-6-carboxylate

IUPAC name

ethyl 8-({[7-(4-carbamoylpiperidine-1-carbonyl)-3-[(furan-2-yl)methyl]-4-oxo-34-dihydroquinazolin-2-yl]sulfanyl}methyl)-24-dihydro-13-benzodioxine-6-carboxylate

SMILES

CCOC(c1cc(CSC(N2Cc3ccco3)=Nc(cc(cc3)C(N(CC4)CCC4C(N)=O)=O)c3C2=O)c2OCOCc2c1)=O

InChI

InChI=1S/C32H32N4O8S/c1-2-42-31(40)21-12-22-16-41-18-44-27(22)23(13-21)17-45-32-34-26-14-20(29(38)35-9-7-19(8-10-35)28(33)37)5-6-25(26)30(39)36(32)15-24-4-3-11-43-24/h3-6,11-14,19H,2,7-10,15-18H2,1H3,(H2,33,37)

InChI Key

QCTOJVRKTBAKEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

632.69

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.015

Distribution Coefficient, logD

3.015

Water Solubility, LogSw

-3.31

Polar Surface Area

121.870

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.40

K284-4531 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 K284-4531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4531?
Check Price and Availability of K284-4531, 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 K284-4531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4531
  • 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 K284-4531 available by request