G568-0139 Screening compound: 2-{[3-(SEC-BUTYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL]SULFANYL}-N~1~-(2-THIENYLMETHYL)PROPANAMIDE

G568-0139 Screening compound: 2-{[3-(SEC-BUTYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL]SULFANYL}-N~1~-(2-THIENYLMETHYL)PROPANAMIDE
G568-0139 Screening compound: 2-{[3-(SEC-BUTYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL]SULFANYL}-N~1~-(2-THIENYLMETHYL)PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound G568-0139
2-{[3-(SEC-BUTYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL]SULFANYL}-N~1~-(2-THIENYLMETHYL)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

G568-0139

Molecular Formula

C22H24N4O2S2 (C22 H24 N4 O2 S2)

Compound Name

2-{[3-(SEC-BUTYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL]SULFANYL}-N~1~-(2-THIENYLMETHYL)PROPANAMIDE

IUPAC name

n/a

SMILES

CCC(C)C1N2C(SC(C)C(NCc3cccs3)=O)=Nc(cccc3)c3C2=NC1=O

InChI

InChI=1S/C22H24N4O2S2/c1-4-13(2)18-21(28)25-19-16-9-5-6-10-17(16)24-22(26(18)19)30-14(3)20(27)23-12-15-8-7-11-29-15/h5-11,13-14,18H,4,12H2,1-3H3,(H,23,27)

InChI Key

JKMKOQRHVLPFDK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.309

Distribution Coefficient, logD

3.309

Water Solubility, LogSw

-3.88

Polar Surface Area

61.174

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

36.40

G568-0139 in Drug Discovery

Included in Screening Libraries

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

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 G568-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G568-0139?
Check Price and Availability of G568-0139, 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 G568-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G568-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G568-0139
  • 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 G568-0139 available by request