4244-0170 Screening compound: (5E)-1-ethyl-5-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione

4244-0170 Screening compound: (5E)-1-ethyl-5-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione
4244-0170 Screening compound: (5E)-1-ethyl-5-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4244-0170
(5E)-1-ethyl-5-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione

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

4244-0170

Molecular Formula

C21H22N4O4 (C21 H22 N4 O4)

Compound Name

(5E)-1-ethyl-5-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-1-ethyl-5-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}methylidene)-13-diazinane-246-trione

SMILES

CCN(C(/C(/C(N1)=O)=C/c2cn(CC(N3CCCC3)=O)c3c2cccc3)=O)C1=O

InChI

InChI=1S/C21H22N4O4/c1-2-25-20(28)16(19(27)22-21(25)29)11-14-12-24(17-8-4-3-7-15(14)17)13-18(26)23-9-5-6-10-23/h3-4,7-8,11-12H,2,5-6,9-10,13H2,1H3,(H,22,27,29)

InChI Key

LPDBIOGPMUQNLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03862868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.447

Distribution Coefficient, logD

1.265

Water Solubility, LogSw

-2.27

Polar Surface Area

72.489

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4244-0170 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 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 4244-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4244-0170?
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What is the minimum amount of 4244-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4244-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4244-0170
  • 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 4244-0170 available by request