G566-0251 Screening compound: 3,4,5-triethoxy-N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}benzamide

G566-0251 Screening compound: 3,4,5-triethoxy-N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}benzamide
G566-0251 Screening compound: 3,4,5-triethoxy-N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G566-0251
3,4,5-triethoxy-N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}benzamide

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

G566-0251

Molecular Formula

C27H29N3O6S (C27 H29 N3 O6 S)

Compound Name

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

IUPAC name

345-triethoxy-N-{2-[({2-methyl-7-oxo-7H-[12]oxazolo[23-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}benzamide

SMILES

CCOc1cc(C(Nc(cccc2)c2SCC(N=C2N3OC(C)=C2)=CC3=O)=O)cc(OCC)c1OCC

InChI

InChI=1S/C27H29N3O6S/c1-5-33-21-13-18(14-22(34-6-2)26(21)35-7-3)27(32)29-20-10-8-9-11-23(20)37-16-19-15-25(31)30-24(28-19)12-17(4)36-30/h8-15H,5-7,16H2,1-4H3,(H,29,32)

InChI Key

ZCWKAHGNDFPONW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27144193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.514

Distribution Coefficient, logD

3.514

Water Solubility, LogSw

-3.68

Polar Surface Area

82.541

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

G566-0251 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G566-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G566-0251?
Check Price and Availability of G566-0251, 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 G566-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G566-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G566-0251
  • 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 G566-0251 available by request