G566-1114 Screening compound: 3-(3,4-dimethylphenyl)-1-{4-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}urea

G566-1114 Screening compound: 3-(3,4-dimethylphenyl)-1-{4-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}urea
G566-1114 Screening compound: 3-(3,4-dimethylphenyl)-1-{4-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G566-1114
3-(3,4-dimethylphenyl)-1-{4-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}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

G566-1114

Molecular Formula

C23H22N4O3S (C23 H22 N4 O3 S)

Compound Name

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

IUPAC name

3-(34-dimethylphenyl)-1-{4-[({2-methyl-7-oxo-7H-[12]oxazolo[23-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}urea

SMILES

CC(ON12)=CC2=NC(CSc(cc2)ccc2NC(Nc2cc(C)c(C)cc2)=O)=CC1=O

InChI

InChI=1S/C23H22N4O3S/c1-14-4-5-18(10-15(14)2)26-23(29)25-17-6-8-20(9-7-17)31-13-19-12-22(28)27-21(24-19)11-16(3)30-27/h4-12H,13H2,1-3H3,(H2,25,26,29)

InChI Key

BOAWAPIAHJDEDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27144359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.648

Distribution Coefficient, logD

4.648

Water Solubility, LogSw

-4.40

Polar Surface Area

70.733

Acid Dissociation Constant (pKa)

13.69

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

G566-1114 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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 G566-1114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G566-1114?
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What is the minimum amount of G566-1114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G566-1114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G566-1114
  • 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 G566-1114 available by request