F076-0493 Screening compound: 6-({[4-acetyl-5-(4-ethoxy-3-methoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methyl}amino)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

F076-0493 Screening compound: 6-({[4-acetyl-5-(4-ethoxy-3-methoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methyl}amino)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
F076-0493 Screening compound: 6-({[4-acetyl-5-(4-ethoxy-3-methoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methyl}amino)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F076-0493
6-({[4-acetyl-5-(4-ethoxy-3-methoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methyl}amino)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

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

F076-0493

Molecular Formula

C17H20N6O6 (C17 H20 N6 O6)

Compound Name

6-({[4-acetyl-5-(4-ethoxy-3-methoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methyl}amino)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

IUPAC name

6-({[4-acetyl-5-(4-ethoxy-3-methoxyphenyl)-45-dihydro-134-oxadiazol-2-yl]methyl}amino)-2345-tetrahydro-124-triazine-35-dione

SMILES

CCOc(ccc(C1OC(CNC(C(N2)=O)=NNC2=O)=NN1C(C)=O)c1)c1OC

InChI

InChI=1S/C17H20N6O6/c1-4-28-11-6-5-10(7-12(11)27-3)16-23(9(2)24)22-13(29-16)8-18-14-15(25)19-17(26)21-20-14/h5-7,16H,4,8H2,1-3H3,(H,18,20)(H2,19,21,25,26)/t16-/m1/s1

InChI Key

RNOFJTWOUVKDND-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14939881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.38

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-0.030

Distribution Coefficient, logD

-1.208

Water Solubility, LogSw

-1.96

Polar Surface Area

122.984

Acid Dissociation Constant (pKa)

6.25

Base Dissociation Constant (pKb)

2.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

F076-0493 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F076-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F076-0493?
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What is the minimum amount of F076-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F076-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F076-0493
  • 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 F076-0493 available by request