G566-0365 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}acetamide

G566-0365 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}acetamide
G566-0365 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G566-0365
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-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

G566-0365

Molecular Formula

C25H17N5O5S2 (C25 H17 N5 O5 S2)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}acetamide

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-{2-[({2-methyl-7-oxo-7H-[12]oxazolo[23-a]pyrimidin-5-yl}methyl)sulfanyl]-13-benzothiazol-6-yl}acetamide

SMILES

CC(ON12)=CC2=NC(CSc2nc(ccc(NC(CN(C(c3c4cccc3)=O)C4=O)=O)c3)c3s2)=CC1=O

InChI

InChI=1S/C25H17N5O5S2/c1-13-8-20-26-15(10-22(32)30(20)35-13)12-36-25-28-18-7-6-14(9-19(18)37-25)27-21(31)11-29-23(33)16-4-2-3-5-17(16)24(29)34/h2-10H,11-12H2,1H3,(H,27,31)

InChI Key

YCXSDZPYSKSNMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15019974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.57

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.077

Distribution Coefficient, logD

3.077

Water Solubility, LogSw

-3.46

Polar Surface Area

99.914

Acid Dissociation Constant (pKa)

12.10

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

G566-0365 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 G566-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G566-0365?
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What is the minimum amount of G566-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G566-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G566-0365
  • 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 G566-0365 available by request