K279-0879 Screening compound: 3-{5-[(4-METHYLBENZYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-PHENETHYLPROPANAMIDE

K279-0879 Screening compound: 3-{5-[(4-METHYLBENZYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-PHENETHYLPROPANAMIDE
K279-0879 Screening compound: 3-{5-[(4-METHYLBENZYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-PHENETHYLPROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K279-0879
3-{5-[(4-METHYLBENZYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-PHENETHYLPROPANAMIDE

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

K279-0879

Molecular Formula

C29H28N4O2S (C29 H28 N4 O2 S)

Compound Name

3-{5-[(4-METHYLBENZYL)SULFANYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL}-N~1~-PHENETHYLPROPANAMIDE

IUPAC name

n/a

SMILES

Cc1ccc(CSC(N2C3CCC(NCCc4ccccc4)=O)=Nc(cccc4)c4C2=NC3=O)cc1

InChI

InChI=1S/C29H28N4O2S/c1-20-11-13-22(14-12-20)19-36-29-31-24-10-6-5-9-23(24)27-32-28(35)25(33(27)29)15-16-26(34)30-18-17-21-7-3-2-4-8-21/h2-14,25H,15-19H2,1H3,(H,30,34)/t25-/m0/s1

InChI Key

HXBCDLLLBHKYGS-VWLOTQADSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.591

Distribution Coefficient, logD

3.590

Water Solubility, LogSw

-3.88

Polar Surface Area

59.465

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

K279-0879 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with K279-0879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-0879?
Check Price and Availability of K279-0879, 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 K279-0879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K279-0879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K279-0879
  • 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 K279-0879 available by request