3720-0946 Screening compound: N-(3-chloro-4-methylphenyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide

3720-0946 Screening compound: N-(3-chloro-4-methylphenyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide
3720-0946 Screening compound: N-(3-chloro-4-methylphenyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3720-0946
N-(3-chloro-4-methylphenyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide

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

3720-0946

Molecular Formula

C17H11ClN2O5 (C17 H11 ClN2 O5)

Compound Name

N-(3-chloro-4-methylphenyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide

IUPAC name

N-(3-chloro-4-methylphenyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide

SMILES

Cc(ccc(NC(C1=Cc(cc(cc2)[N+]([O-])=O)c2OC1=O)=O)c1)c1Cl

InChI

InChI=1S/C17H11ClN2O5/c1-9-2-3-11(8-14(9)18)19-16(21)13-7-10-6-12(20(23)24)4-5-15(10)25-17(13)22/h2-8H,1H3,(H,19,21)

InChI Key

YPMHUEOXFONJSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01946960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.74

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.233

Distribution Coefficient, logD

4.114

Water Solubility, LogSw

-4.68

Polar Surface Area

77.633

Acid Dissociation Constant (pKa)

7.90

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 3720-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3720-0946?
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What is the minimum amount of 3720-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3720-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3720-0946
  • 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 3720-0946 available by request