G755-0686 Screening compound: N-{5-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-phenoxyacetamide

G755-0686 Screening compound: N-{5-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-phenoxyacetamide
G755-0686 Screening compound: N-{5-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G755-0686
N-{5-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-phenoxyacetamide

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

G755-0686

Molecular Formula

C19H14ClN5O3S2 (C19 H14 ClN5 O3 S2)

Compound Name

N-{5-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-phenoxyacetamide

IUPAC name

N-{5-[({7-chloro-4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)sulfanyl]-134-thiadiazol-2-yl}-2-phenoxyacetamide

SMILES

O=C(COc1ccccc1)Nc1nnc(SCC(N=C(C=C2)N3C=C2Cl)=CC3=O)s1

InChI

InChI=1S/C19H14ClN5O3S2/c20-12-6-7-15-21-13(8-17(27)25(15)9-12)11-29-19-24-23-18(30-19)22-16(26)10-28-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,22,23,26)

InChI Key

VPLIPYHLPBRZQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27155976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.085

Distribution Coefficient, logD

3.083

Water Solubility, LogSw

-3.56

Polar Surface Area

79.755

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

G755-0686 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G755-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G755-0686?
Check Price and Availability of G755-0686, 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 G755-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G755-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G755-0686
  • 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 G755-0686 available by request