K284-5017 Screening compound: 3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one

K284-5017 Screening compound: 3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one
K284-5017 Screening compound: 3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5017
3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one

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

K284-5017

Molecular Formula

C29H26BrN5O2S (C29 H26 BrN5 O2 S)

Compound Name

3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one

IUPAC name

3-benzyl-2-[({7-bromo-4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)sulfanyl]-6-(piperidin-1-yl)-34-dihydroquinazolin-4-one

SMILES

O=C1N(C=C(C=C2)Br)C2=NC(CSC(N2Cc3ccccc3)=Nc(ccc(N3CCCCC3)c3)c3C2=O)=C1

InChI

InChI=1S/C29H26BrN5O2S/c30-21-9-12-26-31-22(15-27(36)34(26)18-21)19-38-29-32-25-11-10-23(33-13-5-2-6-14-33)16-24(25)28(37)35(29)17-20-7-3-1-4-8-20/h1,3-4,7-12,15-16,18H,2,5-6,13-14,17,19H2

InChI Key

WTBLECKHWGPQFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05032708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.611

Distribution Coefficient, logD

4.611

Water Solubility, LogSw

-4.33

Polar Surface Area

55.729

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

K284-5017 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K284-5017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5017?
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What is the minimum amount of K284-5017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5017
  • 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 K284-5017 available by request