4244-0296 Screening compound: 2-{3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}-N-[(furan-2-yl)methyl]acetamide

4244-0296 Screening compound: 2-{3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}-N-[(furan-2-yl)methyl]acetamide
4244-0296 Screening compound: 2-{3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4244-0296
2-{3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}-N-[(furan-2-yl)methyl]acetamide

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

4244-0296

Molecular Formula

C22H20N4O5 (C22 H20 N4 O5)

Compound Name

2-{3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}-N-[(furan-2-yl)methyl]acetamide

IUPAC name

2-{3-[(13-dimethyl-246-trioxo-13-diazinan-5-ylidene)methyl]-1H-indol-1-yl}-N-[(furan-2-yl)methyl]acetamide

SMILES

CN(C(C(C(N1C)=O)=Cc2cn(CC(NCc3ccco3)=O)c3c2cccc3)=O)C1=O

InChI

InChI=1S/C22H20N4O5/c1-24-20(28)17(21(29)25(2)22(24)30)10-14-12-26(18-8-4-3-7-16(14)18)13-19(27)23-11-15-6-5-9-31-15/h3-10,12H,11,13H2,1-2H3,(H,23,27)

InChI Key

KREZDXAZBFBYHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03306188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.210

Distribution Coefficient, logD

2.210

Water Solubility, LogSw

-2.65

Polar Surface Area

79.078

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

4244-0296 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4244-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4244-0296?
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What is the minimum amount of 4244-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4244-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4244-0296
  • 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 4244-0296 available by request