4175-0964 Screening compound: (5Z)-5-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)-1-[(furan-2-yl)methyl]-1,3-diazinane-2,4,6-trione

4175-0964 Screening compound: (5Z)-5-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)-1-[(furan-2-yl)methyl]-1,3-diazinane-2,4,6-trione
4175-0964 Screening compound: (5Z)-5-({1-[(4-fluorophenyl)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 4175-0964
(5Z)-5-({1-[(4-fluorophenyl)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

4175-0964

Molecular Formula

C25H18FN3O4 (C25 H18 FN3 O4)

Compound Name

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

SMILES

O=C(/C(/C(N1Cc2ccco2)=O)=C/c2cn(Cc(cc3)ccc3F)c3c2cccc3)NC1=O

InChI

InChI=1S/C25H18FN3O4/c26-18-9-7-16(8-10-18)13-28-14-17(20-5-1-2-6-22(20)28)12-21-23(30)27-25(32)29(24(21)31)15-19-4-3-11-33-19/h1-12,14H,13,15H2,(H,27,30,32)

InChI Key

OLDJNUNUBFGOSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02196038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.43

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

3.700

Distribution Coefficient, logD

3.608

Water Solubility, LogSw

-4.09

Polar Surface Area

63.483

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

-4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

4175-0964 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 4175-0964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4175-0964?
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What is the minimum amount of 4175-0964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4175-0964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4175-0964
  • 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 4175-0964 available by request