G266-0628 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]urea

G266-0628 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]urea
G266-0628 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G266-0628
1-(2H-1,3-benzodioxol-5-yl)-3-[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-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

G266-0628

Molecular Formula

C21H23N5O4 (C21 H23 N5 O4)

Compound Name

1-(2H-1,3-benzodioxol-5-yl)-3-[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]urea

IUPAC name

1-(2H-13-benzodioxol-5-yl)-3-[13-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-23-dihydro-1H-13-benzodiazol-5-yl]urea

SMILES

CN(c(cc(c(N1CCCC1)c1)NC(Nc(cc2)cc3c2OCO3)=O)c1N1C)C1=O

InChI

InChI=1S/C21H23N5O4/c1-24-16-10-14(15(26-7-3-4-8-26)11-17(16)25(2)21(24)28)23-20(27)22-13-5-6-18-19(9-13)30-12-29-18/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H2,22,23,27)

InChI Key

RDWVRCRQLIWGLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27211767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.809

Distribution Coefficient, logD

3.807

Water Solubility, LogSw

-3.98

Polar Surface Area

70.161

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

10.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G266-0628 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G266-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G266-0628?
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What is the minimum amount of G266-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G266-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G266-0628
  • 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 G266-0628 available by request