K279-0946 Screening compound: ETHYL 2-[(3-{3-[(2-FURYLMETHYL)AMINO]-3-OXOPROPYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]ACETATE

K279-0946 Screening compound: ETHYL 2-[(3-{3-[(2-FURYLMETHYL)AMINO]-3-OXOPROPYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]ACETATE
K279-0946 Screening compound: ETHYL 2-[(3-{3-[(2-FURYLMETHYL)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 K279-0946
ETHYL 2-[(3-{3-[(2-FURYLMETHYL)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

K279-0946

Molecular Formula

C22H22N4O5S (C22 H22 N4 O5 S)

Compound Name

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

IUPAC name

n/a

SMILES

CCOC(CSC(N1C2CCC(NCc3ccco3)=O)=Nc(cccc3)c3C1=NC2=O)=O

InChI

InChI=1S/C22H22N4O5S/c1-2-30-19(28)13-32-22-24-16-8-4-3-7-15(16)20-25-21(29)17(26(20)22)9-10-18(27)23-12-14-6-5-11-31-14/h3-8,11,17H,2,9-10,12-13H2,1H3,(H,23,27)/t17-/m0/s1

InChI Key

FCENSBKQSFOWFA-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.030

Distribution Coefficient, logD

2.029

Water Solubility, LogSw

-2.67

Polar Surface Area

87.802

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

K279-0946 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 K279-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-0946?
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What is the minimum amount of K279-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K279-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K279-0946
  • 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 K279-0946 available by request