K289-0455 Screening compound: N-[(furan-2-yl)methyl]-4-oxo-3-pentyl-2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxamide

K289-0455 Screening compound: N-[(furan-2-yl)methyl]-4-oxo-3-pentyl-2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxamide
K289-0455 Screening compound: N-[(furan-2-yl)methyl]-4-oxo-3-pentyl-2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K289-0455
N-[(furan-2-yl)methyl]-4-oxo-3-pentyl-2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-3,4-dihydroquinazoline-7-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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K289-0455

Molecular Formula

C29H32N4O4S (C29 H32 N4 O4 S)

Compound Name

N-[(furan-2-yl)methyl]-4-oxo-3-pentyl-2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

N-[(furan-2-yl)methyl]-4-oxo-3-pentyl-2-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-34-dihydroquinazoline-7-carboxamide

SMILES

CCCCCN1C(SCC(NCCc2ccccc2)=O)=Nc(cc(cc2)C(NCc3ccco3)=O)c2C1=O

InChI

InChI=1S/C29H32N4O4S/c1-2-3-7-16-33-28(36)24-13-12-22(27(35)31-19-23-11-8-17-37-23)18-25(24)32-29(33)38-20-26(34)30-15-14-21-9-5-4-6-10-21/h4-6,8-13,17-18H,2-3,7,14-16,19-20H2,1H3,(H,30,34)(H,31,35)

InChI Key

DJGFHLQOTPBDMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.499

Distribution Coefficient, logD

4.499

Water Solubility, LogSw

-4.22

Polar Surface Area

82.496

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

K289-0455 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K289-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K289-0455?
Check Price and Availability of K289-0455, 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 K289-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K289-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K289-0455
  • 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 K289-0455 available by request