C618-0676 Screening compound: N-(2-methoxy-5-nitrophenyl)-2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide

C618-0676 Screening compound: N-(2-methoxy-5-nitrophenyl)-2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide
C618-0676 Screening compound: N-(2-methoxy-5-nitrophenyl)-2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C618-0676
N-(2-methoxy-5-nitrophenyl)-2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide

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

C618-0676

Molecular Formula

C20H16N4O6 (C20 H16 N4 O6)

Compound Name

N-(2-methoxy-5-nitrophenyl)-2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide

IUPAC name

N-(2-methoxy-5-nitrophenyl)-2-{8-methyl-4-oxo-1H4H-chromeno[43-c]pyrazol-1-yl}acetamide

SMILES

Cc(cc1)cc(-c2c3cnn2CC(Nc(cc(cc2)[N+]([O-])=O)c2OC)=O)c1OC3=O

InChI

InChI=1S/C20H16N4O6/c1-11-3-5-16-13(7-11)19-14(20(26)30-16)9-21-23(19)10-18(25)22-15-8-12(24(27)28)4-6-17(15)29-2/h3-9H,10H2,1-2H3,(H,22,25)

InChI Key

XTJAQUHACPIYCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.37

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.824

Distribution Coefficient, logD

2.805

Water Solubility, LogSw

-3.36

Polar Surface Area

97.922

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with C618-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C618-0676?
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What is the minimum amount of C618-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C618-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C618-0676
  • 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 C618-0676 available by request