4327-1409 Screening compound: 2-{3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetamide

4327-1409 Screening compound: 2-{3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetamide
4327-1409 Screening compound: 2-{3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4327-1409
2-{3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}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

4327-1409

Molecular Formula

C15H12N4O4 (C15 H12 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

NC(Cn1c(cccc2)c2c(C=C(C(NC(N2)=O)=O)C2=O)c1)=O

InChI

InChI=1S/C15H12N4O4/c16-12(20)7-19-6-8(9-3-1-2-4-11(9)19)5-10-13(21)17-15(23)18-14(10)22/h1-6H,7H2,(H2,16,20)(H2,17,18,21,22,23)

InChI Key

RYYHTLYYULYBHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02904613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.416

Distribution Coefficient, logD

-1.051

Water Solubility, LogSw

-2.09

Polar Surface Area

98.035

Acid Dissociation Constant (pKa)

6.88

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

4327-1409 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4327-1409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4327-1409?
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What is the minimum amount of 4327-1409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4327-1409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4327-1409
  • 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 4327-1409 available by request