G566-0825 Screening compound: 2,4-dimethyl-N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}benzene-1-sulfonamide

G566-0825 Screening compound: 2,4-dimethyl-N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}benzene-1-sulfonamide
G566-0825 Screening compound: 2,4-dimethyl-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 G566-0825
2,4-dimethyl-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

G566-0825

Molecular Formula

C22H21N3O4S2 (C22 H21 N3 O4 S2)

Compound Name

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

IUPAC name

24-dimethyl-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(c2c(C)cc(C)cc2)(=O)=O)=CC1=O

InChI

InChI=1S/C22H21N3O4S2/c1-14-8-9-20(15(2)10-14)31(27,28)24-18-6-4-5-7-19(18)30-13-17-12-22(26)25-21(23-17)11-16(3)29-25/h4-12,24H,13H2,1-3H3

InChI Key

LYFHKKRMJRFIJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27144230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.573

Distribution Coefficient, logD

3.432

Water Solubility, LogSw

-3.70

Polar Surface Area

78.382

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

G566-0825 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G566-0825 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G566-0825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G566-0825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G566-0825
  • 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 G566-0825 available by request