G566-0821 Screening compound: 3-chloro-4-methoxy-N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}benzene-1-sulfonamide

G566-0821 Screening compound: 3-chloro-4-methoxy-N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}benzene-1-sulfonamide
G566-0821 Screening compound: 3-chloro-4-methoxy-N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G566-0821
3-chloro-4-methoxy-N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}benzene-1-sulfonamide

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

G566-0821

Molecular Formula

C21H18ClN3O5S2 (C21 H18 ClN3 O5 S2)

Compound Name

3-chloro-4-methoxy-N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}benzene-1-sulfonamide

IUPAC name

3-chloro-4-methoxy-N-{2-[({2-methyl-7-oxo-7H-[12]oxazolo[23-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}benzene-1-sulfonamide

SMILES

CC(ON12)=CC2=NC(CSc(cccc2)c2NS(c(cc2)cc(Cl)c2OC)(=O)=O)=CC1=O

InChI

InChI=1S/C21H18ClN3O5S2/c1-13-9-20-23-14(10-21(26)25(20)30-13)12-31-19-6-4-3-5-17(19)24-32(27,28)15-7-8-18(29-2)16(22)11-15/h3-11,24H,12H2,1-2H3

InChI Key

GZWIOVIKRFPFOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27144227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.98

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.874

Distribution Coefficient, logD

2.870

Water Solubility, LogSw

-3.43

Polar Surface Area

86.013

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G566-0821 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G566-0821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G566-0821?
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What is the minimum amount of G566-0821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G566-0821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G566-0821
  • 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 G566-0821 available by request