8019-5113 Screening compound: 2-methoxy-N-[2-({3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]benzamide

8019-5113 Screening compound: 2-methoxy-N-[2-({3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]benzamide
8019-5113 Screening compound: 2-methoxy-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 8019-5113
2-methoxy-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

8019-5113

Molecular Formula

C17H17N7O6 (C17 H17 N7 O6)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1C(NCCNC(c1nc(Cn(cc2)nc2[N+]([O-])=O)no1)=O)=O

InChI

InChI=1S/C17H17N7O6/c1-29-12-5-3-2-4-11(12)15(25)18-7-8-19-16(26)17-20-13(22-30-17)10-23-9-6-14(21-23)24(27)28/h2-6,9H,7-8,10H2,1H3,(H,18,25)(H,19,26)

InChI Key

UJQRCPMCWKEYFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08095173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.37

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

-0.278

Distribution Coefficient, logD

-0.278

Water Solubility, LogSw

-2.23

Polar Surface Area

136.823

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 8019-5113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5113?
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What is the minimum amount of 8019-5113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5113
  • 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 8019-5113 available by request