K284-4736 Screening compound: 4-{[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide

Chemical Structure Depiction of ChemDiv screening compound K284-4736
4-{[2-({[(4-ethoxyphenyl)carbamoyl]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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K284-4736

Molecular Formula

C₃₁H₃₈N₄O₅S (C31 H38 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(CSC(N1CC(CC2)CCC2C(NCC2OCCC2)=O)=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C31H38N4O5S/c1-2-39-24-15-13-23(14-16-24)33-28(36)20-41-31-34-27-8-4-3-7-26(27)30(38)35(31)19-21-9-11-22(12-10-21)29(37)32-18-25-6-5-17-40-25/h3-4,7-8,13-16,21-22,25H,2,5-6,9-12,17-20H2,1H3,(H,32,37)(H,33,36)/t21?,22?,25-/m1/s1

InChI Key

QFRGBEVKEYOEEG-XUNZJTMSSA-N

MDL Number (MFCD)

MFCD15088467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.73

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

4.165

Distribution Coefficient, logD

4.165

Water Solubility, LogSw

-4.19

Polar Surface Area

89.304

Acid Dissociation Constant (pK_a)

12.70

Base Dissociation Constant (pK_b)

0.56

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

48.40

K284-4736 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 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
Cancer
Digestive system
Respiratory tract
Otorhinolaryngologic
Musculoskeletal
Digestive system
Hemic and lymphatic
Cardiovascular
Skin
wounds

Mechanism of action:

PPI modulators
PPI modulators

Structure:

Cyclic compounds

Targets:

Kinases

References: we are preparing a list of scientific research reports with K284-4736 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4736?
Check Price and Availability of K284-4736, 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 K284-4736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K284-4736
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for K284-4736

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 K284-4736 available by request