C201-0128 Screening compound: (2Z)-N-(3,4-dimethylphenyl)-2-(hydroxyimino)-3,4-dihydro-2H-1-benzopyran-3-carboxamide

C201-0128 Screening compound: (2Z)-N-(3,4-dimethylphenyl)-2-(hydroxyimino)-3,4-dihydro-2H-1-benzopyran-3-carboxamide
C201-0128 Screening compound: (2Z)-N-(3,4-dimethylphenyl)-2-(hydroxyimino)-3,4-dihydro-2H-1-benzopyran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0128
(2Z)-N-(3,4-dimethylphenyl)-2-(hydroxyimino)-3,4-dihydro-2H-1-benzopyran-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

C201-0128

Molecular Formula

C18H18N2O3 (C18 H18 N2 O3)

Compound Name

(2Z)-N-(3,4-dimethylphenyl)-2-(hydroxyimino)-3,4-dihydro-2H-1-benzopyran-3-carboxamide

IUPAC name

(2Z)-N-(34-dimethylphenyl)-2-(hydroxyimino)-34-dihydro-2H-1-benzopyran-3-carboxamide

SMILES

Cc(cc1)c(C)cc1NC(C(Cc(cccc1)c1O1)/C1=N/O)=O

InChI

InChI=1S/C18H18N2O3/c1-11-7-8-14(9-12(11)2)19-17(21)15-10-13-5-3-4-6-16(13)23-18(15)20-22/h3-9,15,22H,10H2,1-2H3,(H,19,21)/b20-18-/t15-/m0/s1

InChI Key

BNQUKPMAOXDZMK-ZJYNUGOYSA-N

MDL Number (MFCD)

MFCD14729241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.542

Distribution Coefficient, logD

3.538

Water Solubility, LogSw

-3.74

Polar Surface Area

60.772

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

C201-0128 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C201-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0128?
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What is the minimum amount of C201-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0128
  • 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 C201-0128 available by request