K284-4554 Screening compound: 2-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-N,3-bis[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide

K284-4554 Screening compound: 2-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-N,3-bis[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
K284-4554 Screening compound: 2-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-N,3-bis[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4554
2-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-N,3-bis[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide

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

K284-4554

Molecular Formula

C28H32N4O5S (C28 H32 N4 O5 S)

Compound Name

2-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-N,3-bis[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

2-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-N3-bis[(oxolan-2-yl)methyl]-34-dihydroquinazoline-7-carboxamide

SMILES

Cc(cc1)ccc1NC(CSC(N1CC2OCCC2)=Nc(cc(cc2)C(NCC3OCCC3)=O)c2C1=O)=O

InChI

InChI=1S/C28H32N4O5S/c1-18-6-9-20(10-7-18)30-25(33)17-38-28-31-24-14-19(26(34)29-15-21-4-2-12-36-21)8-11-23(24)27(35)32(28)16-22-5-3-13-37-22/h6-11,14,21-22H,2-5,12-13,15-17H2,1H3,(H,29,34)(H,30,33)

InChI Key

HUNQLUKYGHLAFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.400

Distribution Coefficient, logD

2.400

Water Solubility, LogSw

-3.05

Polar Surface Area

90.642

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

K284-4554 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K284-4554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4554?
Check Price and Availability of K284-4554, 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 K284-4554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4554
  • 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 K284-4554 available by request