G566-1056 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}urea

G566-1056 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}urea
G566-1056 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G566-1056
1-(2H-1,3-benzodioxol-5-yl)-3-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}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

G566-1056

Molecular Formula

C23H17N5O5S2 (C23 H17 N5 O5 S2)

Compound Name

1-(2H-1,3-benzodioxol-5-yl)-3-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}urea

IUPAC name

1-(2H-13-benzodioxol-5-yl)-3-{2-[({2-methyl-7-oxo-7H-[12]oxazolo[23-a]pyrimidin-5-yl}methyl)sulfanyl]-13-benzothiazol-6-yl}urea

SMILES

CC(ON12)=CC2=NC(CSc2nc(ccc(NC(Nc(cc3)cc4c3OCO4)=O)c3)c3s2)=CC1=O

InChI

InChI=1S/C23H17N5O5S2/c1-12-6-20-24-15(9-21(29)28(20)33-12)10-34-23-27-16-4-2-14(8-19(16)35-23)26-22(30)25-13-3-5-17-18(7-13)32-11-31-17/h2-9H,10-11H2,1H3,(H2,25,26,30)

InChI Key

AJIQNYZXWDGHAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15019999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.295

Distribution Coefficient, logD

4.295

Water Solubility, LogSw

-4.37

Polar Surface Area

96.930

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

G566-1056 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G566-1056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G566-1056?
Check Price and Availability of G566-1056, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G566-1056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G566-1056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G566-1056
  • 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 G566-1056 available by request