8017-1636 Screening compound: N,N-diethyl-3-methoxy-4-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]benzamide

8017-1636 Screening compound: N,N-diethyl-3-methoxy-4-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]benzamide
8017-1636 Screening compound: N,N-diethyl-3-methoxy-4-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1636
N,N-diethyl-3-methoxy-4-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]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

8017-1636

Molecular Formula

C15H19N5O5 (C15 H19 N5 O5)

Compound Name

N,N-diethyl-3-methoxy-4-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]benzamide

IUPAC name

NN-diethyl-3-methoxy-4-[(1-methyl-3-nitro-1H-124-triazol-5-yl)oxy]benzamide

SMILES

CCN(CC)C(c(cc1)cc(OC)c1Oc1nc([N+]([O-])=O)nn1C)=O

InChI

InChI=1S/C15H19N5O5/c1-5-19(6-2)13(21)10-7-8-11(12(9-10)24-4)25-15-16-14(20(22)23)17-18(15)3/h7-9H,5-6H2,1-4H3

InChI Key

ZCKFZYXGOUPEBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.093

Distribution Coefficient, logD

1.093

Water Solubility, LogSw

-2.19

Polar Surface Area

87.588

Acid Dissociation Constant (pKa)

29.11

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 8017-1636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1636?
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What is the minimum amount of 8017-1636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1636
  • 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 8017-1636 available by request