K284-4756 Screening compound: 4-[(2-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide

K284-4756 Screening compound: 4-[(2-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
K284-4756 Screening compound: 4-[(2-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4756
4-[(2-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-[(oxolan-2-yl)methyl]cyclohexane-1-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

K284-4756

Molecular Formula

C28H38N4O4S (C28 H38 N4 O4 S)

Compound Name

4-[(2-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide

IUPAC name

4-[(2-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-4-oxo-34-dihydroquinazolin-3-yl)methyl]-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide

SMILES

O=C(CSC(N1CC(CC2)CCC2C(NCC2OCCC2)=O)=Nc(cccc2)c2C1=O)NC1CCCC1

InChI

InChI=1S/C28H38N4O4S/c33-25(30-21-6-1-2-7-21)18-37-28-31-24-10-4-3-9-23(24)27(35)32(28)17-19-11-13-20(14-12-19)26(34)29-16-22-8-5-15-36-22/h3-4,9-10,19-22H,1-2,5-8,11-18H2,(H,29,34)(H,30,33)/t19?,20?,22-/m1/s1

InChI Key

ORSHLPWMNZCGTJ-QETWGEEDSA-N

MDL Number (MFCD)

MFCD15088482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.7

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.237

Distribution Coefficient, logD

3.237

Water Solubility, LogSw

-3.77

Polar Surface Area

83.594

Acid Dissociation Constant (pKa)

13.75

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.30

K284-4756 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K284-4756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4756?
Check Price and Availability of K284-4756, 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 K284-4756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4756
  • 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 K284-4756 available by request