K279-0111 Screening compound: 3-(1H-INDOL-3-YLMETHYL)-5-{[1-(MORPHOLINOCARBONYL)PROPYL]SULFANYL}IMIDAZO[1,2-C]QUINAZOLIN-2(3H)-ONE

K279-0111 Screening compound: 3-(1H-INDOL-3-YLMETHYL)-5-{[1-(MORPHOLINOCARBONYL)PROPYL]SULFANYL}IMIDAZO[1,2-C]QUINAZOLIN-2(3H)-ONE
K279-0111 Screening compound: 3-(1H-INDOL-3-YLMETHYL)-5-{[1-(MORPHOLINOCARBONYL)PROPYL]SULFANYL}IMIDAZO[1,2-C]QUINAZOLIN-2(3H)-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound K279-0111
3-(1H-INDOL-3-YLMETHYL)-5-{[1-(MORPHOLINOCARBONYL)PROPYL]SULFANYL}IMIDAZO[1,2-C]QUINAZOLIN-2(3H)-ONE

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

K279-0111

Molecular Formula

C27H27N5O3S (C27 H27 N5 O3 S)

Compound Name

3-(1H-INDOL-3-YLMETHYL)-5-{[1-(MORPHOLINOCARBONYL)PROPYL]SULFANYL}IMIDAZO[1,2-C]QUINAZOLIN-2(3H)-ONE

IUPAC name

n/a

SMILES

CCC(C(N1CCOCC1)=O)SC(N1C2Cc3c[nH]c4c3cccc4)=Nc(cccc3)c3C1=NC2=O

InChI

InChI=1S/C27H27N5O3S/c1-2-23(26(34)31-11-13-35-14-12-31)36-27-29-21-10-6-4-8-19(21)24-30-25(33)22(32(24)27)15-17-16-28-20-9-5-3-7-18(17)20/h3-10,16,22-23,28H,2,11-15H2,1H3

InChI Key

XGBJEXIIEXFUAF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.145

Distribution Coefficient, logD

3.143

Water Solubility, LogSw

-3.44

Polar Surface Area

69.851

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

K279-0111 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K279-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-0111?
Check Price and Availability of K279-0111, 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 K279-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K279-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K279-0111
  • 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 K279-0111 available by request