D541-0027 Screening compound: 2-oxo-N-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-2H-chromene-3-carboxamide

D541-0027 Screening compound: 2-oxo-N-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-2H-chromene-3-carboxamide
D541-0027 Screening compound: 2-oxo-N-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D541-0027
2-oxo-N-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-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

D541-0027

Molecular Formula

C17H11N5O3 (C17 H11 N5 O3)

Compound Name

2-oxo-N-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-2H-chromene-3-carboxamide

IUPAC name

2-oxo-N-[4-(1H-1234-tetrazol-1-yl)phenyl]-2H-chromene-3-carboxamide

SMILES

O=C(C1=Cc(cccc2)c2OC1=O)Nc(cc1)ccc1-n1nnnc1

InChI

InChI=1S/C17H11N5O3/c23-16(14-9-11-3-1-2-4-15(11)25-17(14)24)19-12-5-7-13(8-6-12)22-10-18-20-21-22/h1-10H,(H,19,23)

InChI Key

JTBXDUQQRNQQIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08253283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.136

Distribution Coefficient, logD

2.134

Water Solubility, LogSw

-2.96

Polar Surface Area

84.017

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D541-0027 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D541-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D541-0027?
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What is the minimum amount of D541-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D541-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D541-0027
  • 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 D541-0027 available by request