G755-0286 Screening compound: 2-ethyl-N-{5-[({9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}butanamide

G755-0286 Screening compound: 2-ethyl-N-{5-[({9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}butanamide
G755-0286 Screening compound: 2-ethyl-N-{5-[({9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G755-0286
2-ethyl-N-{5-[({9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}butanamide

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

G755-0286

Molecular Formula

C18H21N5O2S2 (C18 H21 N5 O2 S2)

Compound Name

2-ethyl-N-{5-[({9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}butanamide

IUPAC name

2-ethyl-N-{5-[({9-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)sulfanyl]-134-thiadiazol-2-yl}butanamide

SMILES

CCC(CC)C(Nc1nnc(SCC(N=C2N3C=CC=C2C)=CC3=O)s1)=O

InChI

InChI=1S/C18H21N5O2S2/c1-4-12(5-2)16(25)20-17-21-22-18(27-17)26-10-13-9-14(24)23-8-6-7-11(3)15(23)19-13/h6-9,12H,4-5,10H2,1-3H3,(H,20,21,25)

InChI Key

QKHWFSCUXBGECX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27155844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.415

Distribution Coefficient, logD

3.409

Water Solubility, LogSw

-3.49

Polar Surface Area

71.243

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

G755-0286 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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 G755-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G755-0286?
Check Price and Availability of G755-0286, 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 G755-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G755-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G755-0286
  • 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 G755-0286 available by request