K279-0798 Screening compound: 3-[5-({2-[(3,4-DIMETHOXYPHENETHYL)AMINO]-2-OXOETHYL}SULFANYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL]-N~1~-(2-METHOXYBENZYL)PROPANAMIDE

K279-0798 Screening compound: 3-[5-({2-[(3,4-DIMETHOXYPHENETHYL)AMINO]-2-OXOETHYL}SULFANYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL]-N~1~-(2-METHOXYBENZYL)PROPANAMIDE
K279-0798 Screening compound: 3-[5-({2-[(3,4-DIMETHOXYPHENETHYL)AMINO]-2-OXOETHYL}SULFANYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL]-N~1~-(2-METHOXYBENZYL)PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K279-0798
3-[5-({2-[(3,4-DIMETHOXYPHENETHYL)AMINO]-2-OXOETHYL}SULFANYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL]-N~1~-(2-METHOXYBENZYL)PROPANAMIDE

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

K279-0798

Molecular Formula

C33H35N5O6S (C33 H35 N5 O6 S)

Compound Name

3-[5-({2-[(3,4-DIMETHOXYPHENETHYL)AMINO]-2-OXOETHYL}SULFANYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-3-YL]-N~1~-(2-METHOXYBENZYL)PROPANAMIDE

IUPAC name

n/a

SMILES

COc1c(CNC(CCC2N3C(SCC(NCCc(cc4)cc(OC)c4OC)=O)=Nc(cccc4)c4C3=NC2=O)=O)cccc1

InChI

InChI=1S/C33H35N5O6S/c1-42-26-11-7-4-8-22(26)19-35-29(39)15-13-25-32(41)37-31-23-9-5-6-10-24(23)36-33(38(25)31)45-20-30(40)34-17-16-21-12-14-27(43-2)28(18-21)44-3/h4-12,14,18,25H,13,15-17,19-20H2,1-3H3,(H,34,40)(H,35,39)/t25-/m0/s1

InChI Key

AMNJLANPMZTJMI-VWLOTQADSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

629.74

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.263

Distribution Coefficient, logD

2.262

Water Solubility, LogSw

-2.93

Polar Surface Area

106.827

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.30

K279-0798 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K279-0798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-0798?
Check Price and Availability of K279-0798, 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 K279-0798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K279-0798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K279-0798
  • 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 K279-0798 available by request