4244-0286 Screening compound: 1,3-dimethyl-5-[(1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

4244-0286 Screening compound: 1,3-dimethyl-5-[(1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
4244-0286 Screening compound: 1,3-dimethyl-5-[(1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4244-0286
1,3-dimethyl-5-[(1-{2-[5-methyl-2-(propan-2-yl)phenoxy]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

4244-0286

Molecular Formula

C27H29N3O4 (C27 H29 N3 O4)

Compound Name

1,3-dimethyl-5-[(1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

13-dimethyl-5-[(1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-1H-indol-3-yl)methylidene]-13-diazinane-246-trione

SMILES

CC(C)c(ccc(C)c1)c1OCCn1c(cccc2)c2c(C=C(C(N(C)C(N2C)=O)=O)C2=O)c1

InChI

InChI=1S/C27H29N3O4/c1-17(2)20-11-10-18(3)14-24(20)34-13-12-30-16-19(21-8-6-7-9-23(21)30)15-22-25(31)28(4)27(33)29(5)26(22)32/h6-11,14-17H,12-13H2,1-5H3

InChI Key

NGOBITGDJHJLMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03306172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.175

Distribution Coefficient, logD

5.175

Water Solubility, LogSw

-5.04

Polar Surface Area

54.340

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

4244-0286 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 4244-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4244-0286?
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What is the minimum amount of 4244-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4244-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4244-0286
  • 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 4244-0286 available by request