G266-0579 Screening compound: 3-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-1-[3-(methylsulfanyl)phenyl]urea

G266-0579 Screening compound: 3-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-1-[3-(methylsulfanyl)phenyl]urea
G266-0579 Screening compound: 3-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-1-[3-(methylsulfanyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G266-0579
3-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-1-[3-(methylsulfanyl)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

G266-0579

Molecular Formula

C21H25N5O3S (C21 H25 N5 O3 S)

Compound Name

3-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-1-[3-(methylsulfanyl)phenyl]urea

IUPAC name

3-[13-dimethyl-6-(morpholin-4-yl)-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl]-1-[3-(methylsulfanyl)phenyl]urea

SMILES

CN(c(c(N1C)c2)cc(NC(Nc3cccc(SC)c3)=O)c2N2CCOCC2)C1=O

InChI

InChI=1S/C21H25N5O3S/c1-24-18-12-16(23-20(27)22-14-5-4-6-15(11-14)30-3)17(26-7-9-29-10-8-26)13-19(18)25(2)21(24)28/h4-6,11-13H,7-10H2,1-3H3,(H2,22,23,27)

InChI Key

XATVSELHAMMMON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27211741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.633

Distribution Coefficient, logD

3.631

Water Solubility, LogSw

-3.90

Polar Surface Area

60.588

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G266-0579 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G266-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G266-0579?
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What is the minimum amount of G266-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G266-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G266-0579
  • 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 G266-0579 available by request