K284-3757 Screening compound: N-benzyl-4-{4-oxo-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}butanamide

K284-3757 Screening compound: N-benzyl-4-{4-oxo-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}butanamide
K284-3757 Screening compound: N-benzyl-4-{4-oxo-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-3757
N-benzyl-4-{4-oxo-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K284-3757

Molecular Formula

C28H25F3N4O3S (C28 H25 F3 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCCN1C(SCC(Nc2cc(C(F)(F)F)ccc2)=O)=Nc(cccc2)c2C1=O)NCc1ccccc1

InChI

InChI=1S/C28H25F3N4O3S/c29-28(30,31)20-10-6-11-21(16-20)33-25(37)18-39-27-34-23-13-5-4-12-22(23)26(38)35(27)15-7-14-24(36)32-17-19-8-2-1-3-9-19/h1-6,8-13,16H,7,14-15,17-18H2,(H,32,36)(H,33,37)

InChI Key

XHFHBNGRZVCQSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04063162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.098

Distribution Coefficient, logD

4.098

Water Solubility, LogSw

-4.28

Polar Surface Area

73.370

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

K284-3757 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K284-3757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-3757?
Check Price and Availability of K284-3757, 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 K284-3757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-3757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-3757
  • 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 K284-3757 available by request