4632-5266 Screening compound: 2-(3-{[(5E)-1-ethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid

4632-5266 Screening compound: 2-(3-{[(5E)-1-ethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid
4632-5266 Screening compound: 2-(3-{[(5E)-1-ethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4632-5266
2-(3-{[(5E)-1-ethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid

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

4632-5266

Molecular Formula

C17H15N3O5 (C17 H15 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(/C(/C(N1)=O)=C/c2cn(CC(O)=O)c3c2cccc3)=O)C1=O

InChI

InChI=1S/C17H15N3O5/c1-2-20-16(24)12(15(23)18-17(20)25)7-10-8-19(9-14(21)22)13-6-4-3-5-11(10)13/h3-8H,2,9H2,1H3,(H,21,22)(H,18,23,25)

InChI Key

VRZKPYNHYJWCJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02909106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.002

Distribution Coefficient, logD

-3.980

Water Solubility, LogSw

-2.10

Polar Surface Area

84.386

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

-3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4632-5266 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 4632-5266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4632-5266?
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What is the minimum amount of 4632-5266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4632-5266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4632-5266
  • 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 4632-5266 available by request