4761-1741 Screening compound: N-(4-fluorophenyl)-2-(3-{[(5E)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetamide

4761-1741 Screening compound: N-(4-fluorophenyl)-2-(3-{[(5E)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetamide
4761-1741 Screening compound: N-(4-fluorophenyl)-2-(3-{[(5E)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4761-1741
N-(4-fluorophenyl)-2-(3-{[(5E)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetamide

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

4761-1741

Molecular Formula

C28H21FN4O4 (C28 H21 FN4 O4)

Compound Name

N-(4-fluorophenyl)-2-(3-{[(5E)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetamide

IUPAC name

N-(4-fluorophenyl)-2-(3-{[(5E)-1-(4-methylphenyl)-246-trioxo-13-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetamide

SMILES

Cc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c2cn(CC(Nc(cc3)ccc3F)=O)c3c2cccc3)=O)C1=O

InChI

InChI=1S/C28H21FN4O4/c1-17-6-12-21(13-7-17)33-27(36)23(26(35)31-28(33)37)14-18-15-32(24-5-3-2-4-22(18)24)16-25(34)30-20-10-8-19(29)9-11-20/h2-15H,16H2,1H3,(H,30,34)(H,31,35,37)

InChI Key

ONHBNMFLXLULND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03064912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.983

Distribution Coefficient, logD

3.411

Water Solubility, LogSw

-3.98

Polar Surface Area

78.272

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 4761-1741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4761-1741?
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What is the minimum amount of 4761-1741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4761-1741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4761-1741
  • 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 4761-1741 available by request