3970-1303 Screening compound: 2-(3-{[(5E)-1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-phenylacetamide

3970-1303 Screening compound: 2-(3-{[(5E)-1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-phenylacetamide
3970-1303 Screening compound: 2-(3-{[(5E)-1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3970-1303
2-(3-{[(5E)-1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-phenylacetamide

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

3970-1303

Molecular Formula

C27H19FN4O4 (C27 H19 FN4 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cn1c(cccc2)c2c(/C=C(\C(NC(N2c3cccc(F)c3)=O)=O)/C2=O)c1)Nc1ccccc1

InChI

InChI=1S/C27H19FN4O4/c28-18-7-6-10-20(14-18)32-26(35)22(25(34)30-27(32)36)13-17-15-31(23-12-5-4-11-21(17)23)16-24(33)29-19-8-2-1-3-9-19/h1-15H,16H2,(H,29,33)(H,30,34,36)

InChI Key

MSXGZUDTGUYCSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02193835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.47

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

3.414

Distribution Coefficient, logD

2.021

Water Solubility, LogSw

-3.69

Polar Surface Area

78.272

Acid Dissociation Constant (pKa)

6.02

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

3970-1303 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 3970-1303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3970-1303?
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What is the minimum amount of 3970-1303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3970-1303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3970-1303
  • 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 3970-1303 available by request