G566-1040 Screening compound: 1-(3-chloro-4-methylphenyl)-3-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}urea

G566-1040 Screening compound: 1-(3-chloro-4-methylphenyl)-3-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}urea
G566-1040 Screening compound: 1-(3-chloro-4-methylphenyl)-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 G566-1040
1-(3-chloro-4-methylphenyl)-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

G566-1040

Molecular Formula

C23H18ClN5O3S2 (C23 H18 ClN5 O3 S2)

Compound Name

1-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-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(Nc3cc(Cl)c(C)cc3)=O)c3)c3s2)=CC1=O

InChI

InChI=1S/C23H18ClN5O3S2/c1-12-3-4-14(8-17(12)24)26-22(31)27-15-5-6-18-19(9-15)34-23(28-18)33-11-16-10-21(30)29-20(25-16)7-13(2)32-29/h3-10H,11H2,1-2H3,(H2,26,27,31)

InChI Key

MHSZAPRLSOCBFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15019986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.852

Distribution Coefficient, logD

5.852

Water Solubility, LogSw

-5.99

Polar Surface Area

79.815

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

G566-1040 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 G566-1040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G566-1040?
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What is the minimum amount of G566-1040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G566-1040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G566-1040
  • 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 G566-1040 available by request