4758-2615 Screening compound: (5E)-1-(2H-1,3-benzodioxol-5-yl)-5-{[1-(butan-2-yl)-1H-indol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione

4758-2615 Screening compound: (5E)-1-(2H-1,3-benzodioxol-5-yl)-5-{[1-(butan-2-yl)-1H-indol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione
4758-2615 Screening compound: (5E)-1-(2H-1,3-benzodioxol-5-yl)-5-{[1-(butan-2-yl)-1H-indol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4758-2615
(5E)-1-(2H-1,3-benzodioxol-5-yl)-5-{[1-(butan-2-yl)-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

4758-2615

Molecular Formula

C24H21N3O5 (C24 H21 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)n1c(cccc2)c2c(/C=C(\C(NC(N2c(cc3)cc4c3OCO4)=O)=O)/C2=O)c1

InChI

InChI=1S/C24H21N3O5/c1-3-14(2)26-12-15(17-6-4-5-7-19(17)26)10-18-22(28)25-24(30)27(23(18)29)16-8-9-20-21(11-16)32-13-31-20/h4-12,14H,3,13H2,1-2H3,(H,25,28,30)/t14-/m0/s1

InChI Key

MUWYVJYOMIBAQC-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD04025155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.678

Distribution Coefficient, logD

3.306

Water Solubility, LogSw

-3.93

Polar Surface Area

72.886

Acid Dissociation Constant (pKa)

7.27

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

4758-2615 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4758-2615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4758-2615?
Check Price and Availability of 4758-2615, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4758-2615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4758-2615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4758-2615
  • 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 4758-2615 available by request