K284-4698 Screening compound: 2-{[3-(3-{[(furan-2-yl)methyl]carbamoyl}propyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]butanamide

K284-4698 Screening compound: 2-{[3-(3-{[(furan-2-yl)methyl]carbamoyl}propyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]butanamide
K284-4698 Screening compound: 2-{[3-(3-{[(furan-2-yl)methyl]carbamoyl}propyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4698
2-{[3-(3-{[(furan-2-yl)methyl]carbamoyl}propyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[(pyridin-3-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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K284-4698

Molecular Formula

C27H29N5O4S (C27 H29 N5 O4 S)

Compound Name

2-{[3-(3-{[(furan-2-yl)methyl]carbamoyl}propyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]butanamide

IUPAC name

2-{[3-(3-{[(furan-2-yl)methyl]carbamoyl}propyl)-4-oxo-34-dihydroquinazolin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]butanamide

SMILES

CCC(C(NCc1cnccc1)=O)SC(N1CCCC(NCc2ccco2)=O)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C27H29N5O4S/c1-2-23(25(34)30-17-19-8-5-13-28-16-19)37-27-31-22-11-4-3-10-21(22)26(35)32(27)14-6-12-24(33)29-18-20-9-7-15-36-20/h3-5,7-11,13,15-16,23H,2,6,12,14,17-18H2,1H3,(H,29,33)(H,30,34)/t23-/m0/s1

InChI Key

PJGSYZQSVFQYDO-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15088436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.106

Distribution Coefficient, logD

2.104

Water Solubility, LogSw

-2.47

Polar Surface Area

92.172

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

K284-4698 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with K284-4698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4698?
Check Price and Availability of K284-4698, 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 K284-4698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4698
  • 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 K284-4698 available by request