G755-0251 Screening compound: ethyl 2-{4-[({5-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]phenyl}acetate

G755-0251 Screening compound: ethyl 2-{4-[({5-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]phenyl}acetate
G755-0251 Screening compound: ethyl 2-{4-[({5-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]phenyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G755-0251
ethyl 2-{4-[({5-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]phenyl}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

G755-0251

Molecular Formula

C22H20N6O4S2 (C22 H20 N6 O4 S2)

Compound Name

ethyl 2-{4-[({5-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]phenyl}acetate

IUPAC name

ethyl 2-{4-[({5-[({4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)sulfanyl]-134-thiadiazol-2-yl}carbamoyl)amino]phenyl}acetate

SMILES

CCOC(Cc(cc1)ccc1NC(Nc1nnc(SCC(N=C2N3C=CC=C2)=CC3=O)s1)=O)=O

InChI

InChI=1S/C22H20N6O4S2/c1-2-32-19(30)11-14-6-8-15(9-7-14)24-20(31)25-21-26-27-22(34-21)33-13-16-12-18(29)28-10-4-3-5-17(28)23-16/h3-10,12H,2,11,13H2,1H3,(H2,24,25,26,31)

InChI Key

CWPHZJYVPKPYML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15032097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.527

Distribution Coefficient, logD

3.527

Water Solubility, LogSw

-3.73

Polar Surface Area

101.321

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

G755-0251 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G755-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G755-0251?
Check Price and Availability of G755-0251, 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 G755-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G755-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G755-0251
  • 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 G755-0251 available by request