K284-4831 Screening compound: ethyl 8-({[3-(4-methoxybenzamido)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)-2,4-dihydro-1,3-benzodioxine-6-carboxylate

K284-4831 Screening compound: ethyl 8-({[3-(4-methoxybenzamido)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)-2,4-dihydro-1,3-benzodioxine-6-carboxylate
K284-4831 Screening compound: ethyl 8-({[3-(4-methoxybenzamido)-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 K284-4831
ethyl 8-({[3-(4-methoxybenzamido)-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

K284-4831

Molecular Formula

C28H25N3O7S (C28 H25 N3 O7 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1cc(CSC(N2NC(c(cc3)ccc3OC)=O)=Nc(cccc3)c3C2=O)c2OCOCc2c1)=O

InChI

InChI=1S/C28H25N3O7S/c1-3-37-27(34)18-12-19-14-36-16-38-24(19)20(13-18)15-39-28-29-23-7-5-4-6-22(23)26(33)31(28)30-25(32)17-8-10-21(35-2)11-9-17/h4-13H,3,14-16H2,1-2H3,(H,30,32)

InChI Key

ZGWZUQBEIVOCEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.59

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

3.668

Distribution Coefficient, logD

3.667

Water Solubility, LogSw

-3.91

Polar Surface Area

97.359

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

K284-4831 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 K284-4831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4831?
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What is the minimum amount of K284-4831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4831
  • 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 K284-4831 available by request