8018-7386 Screening compound: 3,4-diethoxy-N-[2-({3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]benzamide

8018-7386 Screening compound: 3,4-diethoxy-N-[2-({3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]benzamide
8018-7386 Screening compound: 3,4-diethoxy-N-[2-({3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7386
3,4-diethoxy-N-[2-({3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]benzamide

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

8018-7386

Molecular Formula

C20H23N7O7 (C20 H23 N7 O7)

Compound Name

3,4-diethoxy-N-[2-({3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]benzamide

IUPAC name

34-diethoxy-N-[2-({3-[(3-nitro-1H-pyrazol-1-yl)methyl]-124-oxadiazol-5-yl}formamido)ethyl]benzamide

SMILES

CCOc(ccc(C(NCCNC(c1nc(Cn(cc2)nc2[N+]([O-])=O)no1)=O)=O)c1)c1OCC

InChI

InChI=1S/C20H23N7O7/c1-3-32-14-6-5-13(11-15(14)33-4-2)18(28)21-8-9-22-19(29)20-23-16(25-34-20)12-26-10-7-17(24-26)27(30)31/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,21,28)(H,22,29)

InChI Key

NKTVZCWFYNPOPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08095182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.45

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

-0.285

Distribution Coefficient, logD

-0.285

Water Solubility, LogSw

-2.06

Polar Surface Area

143.613

Acid Dissociation Constant (pKa)

13.42

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 8018-7386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7386?
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What is the minimum amount of 8018-7386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7386
  • 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 8018-7386 available by request