K279-0649 Screening compound: ETHYL 2-[(3-{3-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]-3-OXOPROPYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]ACETATE

K279-0649 Screening compound: ETHYL 2-[(3-{3-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]-3-OXOPROPYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]ACETATE
K279-0649 Screening compound: ETHYL 2-[(3-{3-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]-3-OXOPROPYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]ACETATE alternative view

Chemical Structure Depiction of ChemDiv screening compound K279-0649
ETHYL 2-[(3-{3-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]-3-OXOPROPYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]ACETATE

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

K279-0649

Molecular Formula

C25H24N4O6S (C25 H24 N4 O6 S)

Compound Name

ETHYL 2-[(3-{3-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]-3-OXOPROPYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]ACETATE

IUPAC name

n/a

SMILES

CCOC(CSC(N1C2CCC(NCc(cc3)cc4c3OCO4)=O)=Nc(cccc3)c3C1=NC2=O)=O

InChI

InChI=1S/C25H24N4O6S/c1-2-33-22(31)13-36-25-27-17-6-4-3-5-16(17)23-28-24(32)18(29(23)25)8-10-21(30)26-12-15-7-9-19-20(11-15)35-14-34-19/h3-7,9,11,18H,2,8,10,12-14H2,1H3,(H,26,30)/t18-/m0/s1

InChI Key

YXZSVASVRYLKRQ-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.193

Distribution Coefficient, logD

2.192

Water Solubility, LogSw

-2.94

Polar Surface Area

97.169

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

K279-0649 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K279-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-0649?
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What is the minimum amount of K279-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K279-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K279-0649
  • 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 K279-0649 available by request