G755-0364 Screening compound: 3-{5-[({9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]urea

G755-0364 Screening compound: 3-{5-[({9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]urea
G755-0364 Screening compound: 3-{5-[({9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G755-0364
3-{5-[({9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]urea

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

G755-0364

Molecular Formula

C20H18N6O2S3 (C20 H18 N6 O2 S3)

Compound Name

3-{5-[({9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]urea

IUPAC name

3-{5-[({9-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)sulfanyl]-134-thiadiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]urea

SMILES

CC1=CC=CN2C1=NC(CSc1nnc(NC(Nc3cc(SC)ccc3)=O)s1)=CC2=O

InChI

InChI=1S/C20H18N6O2S3/c1-12-5-4-8-26-16(27)10-14(21-17(12)26)11-30-20-25-24-19(31-20)23-18(28)22-13-6-3-7-15(9-13)29-2/h3-10H,11H2,1-2H3,(H2,22,23,24,28)

InChI Key

CANDWKSDDWMVDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27155885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.297

Distribution Coefficient, logD

4.296

Water Solubility, LogSw

-4.34

Polar Surface Area

80.183

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with G755-0364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G755-0364?
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What is the minimum amount of G755-0364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G755-0364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G755-0364
  • 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 G755-0364 available by request