K279-1417 Screening compound: 2-(5-{[2-(3-METHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-METHOXYBENZYL)ACETAMIDE

K279-1417 Screening compound: 2-(5-{[2-(3-METHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-METHOXYBENZYL)ACETAMIDE
K279-1417 Screening compound: 2-(5-{[2-(3-METHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-METHOXYBENZYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K279-1417
2-(5-{[2-(3-METHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-METHOXYBENZYL)ACETAMIDE

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

K279-1417

Molecular Formula

C29H27N5O5S (C29 H27 N5 O5 S)

Compound Name

2-(5-{[2-(3-METHOXYANILINO)-2-OXOETHYL]SULFANYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL)-N~1~-(2-METHOXYBENZYL)ACETAMIDE

IUPAC name

n/a

SMILES

COc1cccc(NC(CSC(N2C3CC(NCc(cccc4)c4OC)=O)=Nc(cccc4)c4C2=NC3=O)=O)c1

InChI

InChI=1S/C29H27N5O5S/c1-38-20-10-7-9-19(14-20)31-26(36)17-40-29-32-22-12-5-4-11-21(22)27-33-28(37)23(34(27)29)15-25(35)30-16-18-8-3-6-13-24(18)39-2/h3-14,23H,15-17H2,1-2H3,(H,30,35)(H,31,36)/t23-/m0/s1

InChI Key

MDCBWEBVHXGSNA-QHCPKHFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.019

Distribution Coefficient, logD

3.017

Water Solubility, LogSw

-3.63

Polar Surface Area

97.947

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

K279-1417 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Eccentric PPI Library (11937 compounds)

Human Receptors Annotated Library (5376 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with K279-1417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-1417?
Check Price and Availability of K279-1417, 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 K279-1417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K279-1417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K279-1417
  • 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 K279-1417 available by request