K284-3794 Screening compound: 4-{4-oxo-2-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}-N-[(oxolan-2-yl)methyl]butanamide

Chemical Structure Depiction of ChemDiv screening compound K284-3794
4-{4-oxo-2-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}-N-[(oxolan-2-yl)methyl]butanamide

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

K284-3794

Molecular Formula

C₂₆H₂₇F₃N₄O₄S (C26 H27 F3 N4 O4 S)

Compound Name

4-{4-oxo-2-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}-N-[(oxolan-2-yl)methyl]butanamide

IUPAC name

4-{4-oxo-2-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-34-dihydroquinazolin-3-yl}-N-[(oxolan-2-yl)methyl]butanamide

SMILES

O=C(CCCN1C(SCC(Nc2c(C(F)(F)F)cccc2)=O)=Nc(cccc2)c2C1=O)NCC1OCCC1

InChI

InChI=1S/C26H27F3N4O4S/c27-26(28,29)19-9-2-4-11-21(19)31-23(35)16-38-25-32-20-10-3-1-8-18(20)24(36)33(25)13-5-12-22(34)30-15-17-7-6-14-37-17/h1-4,8-11,17H,5-7,12-16H2,(H,30,34)(H,31,35)/t17-/m1/s1

InChI Key

IKIUVOLJOXHYMA-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD04063187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

2.026

Distribution Coefficient, logD

2.026

Water Solubility, LogSw

-2.82

Polar Surface Area

81.327

Acid Dissociation Constant (pK_a)

12.78

Base Dissociation Constant (pK_b)

0.55

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

38.50

K284-3794 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Antiviral
Infections
Immune system
Antiviral
Infections
Immune system
Musculoskeletal
Digestive system
Hemic and lymphatic
Cardiovascular
Skin
wounds

Structure:

3D
Pool
Cyclic compounds

Mechanism of action:

PPI modulators
PPI modulators

References: we are preparing a list of scientific research reports with K284-3794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-3794?
Check Price and Availability of K284-3794, 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 K284-3794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K284-3794
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for K284-3794

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 K284-3794 available by request