K279-0105 Screening compound: N~1~-(4-ETHYLPHENYL)-2-{[3-(1H-INDOL-3-YLMETHYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL]SULFANYL}ACETAMIDE

K279-0105 Screening compound: N~1~-(4-ETHYLPHENYL)-2-{[3-(1H-INDOL-3-YLMETHYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL]SULFANYL}ACETAMIDE
K279-0105 Screening compound: N~1~-(4-ETHYLPHENYL)-2-{[3-(1H-INDOL-3-YLMETHYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL]SULFANYL}ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K279-0105
N~1~-(4-ETHYLPHENYL)-2-{[3-(1H-INDOL-3-YLMETHYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL]SULFANYL}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

K279-0105

Molecular Formula

C29H25N5O2S (C29 H25 N5 O2 S)

Compound Name

N~1~-(4-ETHYLPHENYL)-2-{[3-(1H-INDOL-3-YLMETHYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL]SULFANYL}ACETAMIDE

IUPAC name

n/a

SMILES

CCc(cc1)ccc1NC(CSC(N1C2Cc3c[nH]c4c3cccc4)=Nc(cccc3)c3C1=NC2=O)=O

InChI

InChI=1S/C29H25N5O2S/c1-2-18-11-13-20(14-12-18)31-26(35)17-37-29-32-24-10-6-4-8-22(24)27-33-28(36)25(34(27)29)15-19-16-30-23-9-5-3-7-21(19)23/h3-14,16,25,30H,2,15,17H2,1H3,(H,31,35)/t25-/m0/s1

InChI Key

RTRGYGPFFMOMHB-VWLOTQADSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.903

Distribution Coefficient, logD

4.902

Water Solubility, LogSw

-4.75

Polar Surface Area

68.172

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

K279-0105 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K279-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-0105?
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What is the minimum amount of K279-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K279-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K279-0105
  • 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 K279-0105 available by request