K284-4606 Screening compound: N-[(2-chlorophenyl)methyl]-4-({2-[({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)cyclohexane-1-carboxamide

Chemical Structure Depiction of ChemDiv screening compound K284-4606
N-[(2-chlorophenyl)methyl]-4-({2-[({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K284-4606

Molecular Formula

C₃₃H₃₉ClN₄O₃S (C33 H39 ClN4 O3 S)

Compound Name

N-[(2-chlorophenyl)methyl]-4-({2-[({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)cyclohexane-1-carboxamide

IUPAC name

N-[(2-chlorophenyl)methyl]-4-({2-[({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-34-dihydroquinazolin-3-yl}methyl)cyclohexane-1-carboxamide

SMILES

O=C(CSC(N1CC(CC2)CCC2C(NCc(cccc2)c2Cl)=O)=Nc(cccc2)c2C1=O)NCCC1=CCCCC1

InChI

InChI=1S/C33H39ClN4O3S/c34-28-12-6-4-10-26(28)20-36-31(40)25-16-14-24(15-17-25)21-38-32(41)27-11-5-7-13-29(27)37-33(38)42-22-30(39)35-19-18-23-8-2-1-3-9-23/h4-8,10-13,24-25H,1-3,9,14-22H2,(H,35,39)(H,36,40)

InChI Key

PTQZJIRPMSUAIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

607.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

5.529

Distribution Coefficient, logD

5.529

Water Solubility, LogSw

-5.82

Polar Surface Area

74.882

Acid Dissociation Constant (pK_a)

12.56

Base Dissociation Constant (pK_b)

0.44

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

45.50

K284-4606 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)

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Antiviral
Infections
Immune system
Antiviral
Infections
Immune system
Musculoskeletal
Respiratory tract
Nervous system
Congenital
Skin
Metabolic
Endocrine
Antiviral
Infections
Immune system
Musculoskeletal
Digestive system
Hemic and lymphatic
Cardiovascular
Skin
wounds

Mechanism of action:

PPI modulators
Receptor's ligands
PPI modulators

Structure:

Cyclic compounds

Targets:

GPCR

References: we are preparing a list of scientific research reports with K284-4606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4606?
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What is the minimum amount of K284-4606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K284-4606
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for K284-4606

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 K284-4606 available by request