4175-0963 Screening compound: (5Z)-5-({1-[(4-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}methylidene)-1-[(furan-2-yl)methyl]-1,3-diazinane-2,4,6-trione

4175-0963 Screening compound: (5Z)-5-({1-[(4-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}methylidene)-1-[(furan-2-yl)methyl]-1,3-diazinane-2,4,6-trione
4175-0963 Screening compound: (5Z)-5-({1-[(4-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}methylidene)-1-[(furan-2-yl)methyl]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4175-0963
(5Z)-5-({1-[(4-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}methylidene)-1-[(furan-2-yl)methyl]-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

4175-0963

Molecular Formula

C26H20FN3O4 (C26 H20 FN3 O4)

Compound Name

(5Z)-5-({1-[(4-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}methylidene)-1-[(furan-2-yl)methyl]-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-5-({1-[(4-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}methylidene)-1-[(furan-2-yl)methyl]-13-diazinane-246-trione

SMILES

Cc1c(/C=C(/C(NC(N2Cc3ccco3)=O)=O)\C2=O)c(cccc2)c2n1Cc(cc1)ccc1F

InChI

InChI=1S/C26H20FN3O4/c1-16-21(13-22-24(31)28-26(33)30(25(22)32)15-19-5-4-12-34-19)20-6-2-3-7-23(20)29(16)14-17-8-10-18(27)11-9-17/h2-13H,14-15H2,1H3,(H,28,31,33)

InChI Key

OQFVVZVUMJCPFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02196037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.243

Distribution Coefficient, logD

4.223

Water Solubility, LogSw

-4.32

Polar Surface Area

62.952

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

-4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

4175-0963 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Agro:
  • Agro
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 4175-0963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4175-0963?
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What is the minimum amount of 4175-0963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4175-0963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4175-0963
  • 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 4175-0963 available by request