K284-4823 Screening compound: 4-methoxy-N-(4-oxo-2-{[(pyridin-3-yl)methyl]sulfanyl}-3,4-dihydroquinazolin-3-yl)benzamide

K284-4823 Screening compound: 4-methoxy-N-(4-oxo-2-{[(pyridin-3-yl)methyl]sulfanyl}-3,4-dihydroquinazolin-3-yl)benzamide
K284-4823 Screening compound: 4-methoxy-N-(4-oxo-2-{[(pyridin-3-yl)methyl]sulfanyl}-3,4-dihydroquinazolin-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4823
4-methoxy-N-(4-oxo-2-{[(pyridin-3-yl)methyl]sulfanyl}-3,4-dihydroquinazolin-3-yl)benzamide

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

K284-4823

Molecular Formula

C22H18N4O3S (C22 H18 N4 O3 S)

Compound Name

4-methoxy-N-(4-oxo-2-{[(pyridin-3-yl)methyl]sulfanyl}-3,4-dihydroquinazolin-3-yl)benzamide

IUPAC name

4-methoxy-N-(4-oxo-2-{[(pyridin-3-yl)methyl]sulfanyl}-34-dihydroquinazolin-3-yl)benzamide

SMILES

COc(cc1)ccc1C(NN1C(SCc2cnccc2)=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C22H18N4O3S/c1-29-17-10-8-16(9-11-17)20(27)25-26-21(28)18-6-2-3-7-19(18)24-22(26)30-14-15-5-4-12-23-13-15/h2-13H,14H2,1H3,(H,25,27)

InChI Key

GLMYBQYCVGPHQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.914

Distribution Coefficient, logD

1.899

Water Solubility, LogSw

-2.29

Polar Surface Area

69.234

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

5.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

K284-4823 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with K284-4823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4823?
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What is the minimum amount of K284-4823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4823
  • 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 K284-4823 available by request