1306-0027 Screening compound: 4-[(E)-[(3,5-dichloro-2-methoxyphenyl)methylidene]amino]-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide

1306-0027 Screening compound: 4-[(E)-[(3,5-dichloro-2-methoxyphenyl)methylidene]amino]-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide
1306-0027 Screening compound: 4-[(E)-[(3,5-dichloro-2-methoxyphenyl)methylidene]amino]-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1306-0027
4-[(E)-[(3,5-dichloro-2-methoxyphenyl)methylidene]amino]-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-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

1306-0027

Molecular Formula

C20H18Cl2N4O3 (C20 H18 Cl2 N4 O3)

Compound Name

4-[(E)-[(3,5-dichloro-2-methoxyphenyl)methylidene]amino]-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide

IUPAC name

4-[(E)-[(35-dichloro-2-methoxyphenyl)methylidene]amino]-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide

SMILES

Cn1ncc(/N=C/c2cc(Cl)cc(Cl)c2OC)c1C(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C20H18Cl2N4O3/c1-26-18(20(27)25-15-6-4-5-7-17(15)28-2)16(11-24-26)23-10-12-8-13(21)9-14(22)19(12)29-3/h4-11H,1-3H3,(H,25,27)

InChI Key

KCGLQAFDUVIOAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00345960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.183

Distribution Coefficient, logD

4.133

Water Solubility, LogSw

-4.52

Polar Surface Area

58.925

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

1306-0027 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1306-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1306-0027?
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What is the minimum amount of 1306-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1306-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1306-0027
  • 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 1306-0027 available by request