G755-0453 Screening compound: methyl 4-[({5-[({8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]benzoate

G755-0453 Screening compound: methyl 4-[({5-[({8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]benzoate
G755-0453 Screening compound: methyl 4-[({5-[({8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G755-0453
methyl 4-[({5-[({8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]benzoate

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

G755-0453

Molecular Formula

C21H18N6O4S2 (C21 H18 N6 O4 S2)

Compound Name

methyl 4-[({5-[({8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]benzoate

IUPAC name

methyl 4-[({5-[({8-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)sulfanyl]-134-thiadiazol-2-yl}carbamoyl)amino]benzoate

SMILES

CC(C=CN12)=CC2=NC(CSc2nnc(NC(Nc(cc3)ccc3C(OC)=O)=O)s2)=CC1=O

InChI

InChI=1S/C21H18N6O4S2/c1-12-7-8-27-16(9-12)22-15(10-17(27)28)11-32-21-26-25-20(33-21)24-19(30)23-14-5-3-13(4-6-14)18(29)31-2/h3-10H,11H2,1-2H3,(H2,23,24,25,30)

InChI Key

CYDOCEWKWYMNIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27155908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.875

Distribution Coefficient, logD

3.874

Water Solubility, LogSw

-4.17

Polar Surface Area

102.336

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G755-0453 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G755-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G755-0453?
Check Price and Availability of G755-0453, 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 G755-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G755-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G755-0453
  • 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 G755-0453 available by request