G072-2221 Screening compound: 2-(2-chlorophenoxy)-N-{5-[({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide

G072-2221 Screening compound: 2-(2-chlorophenoxy)-N-{5-[({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
G072-2221 Screening compound: 2-(2-chlorophenoxy)-N-{5-[({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-2221
2-(2-chlorophenoxy)-N-{5-[({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide

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

G072-2221

Molecular Formula

C18H14ClN5O3S3 (C18 H14 ClN5 O3 S3)

Compound Name

2-(2-chlorophenoxy)-N-{5-[({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide

IUPAC name

2-(2-chlorophenoxy)-N-{5-[({3-methyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidin-7-yl}methyl)sulfanyl]-134-thiadiazol-2-yl}acetamide

SMILES

CC(N12)=CSC2=NC(CSc2nnc(NC(COc(cccc3)c3Cl)=O)s2)=CC1=O

InChI

InChI=1S/C18H14ClN5O3S3/c1-10-8-28-17-20-11(6-15(26)24(10)17)9-29-18-23-22-16(30-18)21-14(25)7-27-13-5-3-2-4-12(13)19/h2-6,8H,7,9H2,1H3,(H,21,22,25)

InChI Key

BMDDIMCDFZINLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.99

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.570

Distribution Coefficient, logD

3.568

Water Solubility, LogSw

-3.79

Polar Surface Area

78.956

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G072-2221 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G072-2221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G072-2221?
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What is the minimum amount of G072-2221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-2221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-2221
  • 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 G072-2221 available by request