C226-3417 Screening compound: N-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C226-3417 Screening compound: N-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
C226-3417 Screening compound: N-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-3417
N-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4,5,6,7-tetrahydro-1,2-benzoxazole-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

C226-3417

Molecular Formula

C20H20Cl2N4O2 (C20 H20 Cl2 N4 O2)

Compound Name

N-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

IUPAC name

N-{1-[(26-dichlorophenyl)methyl]-35-dimethyl-1H-pyrazol-4-yl}-4567-tetrahydro-12-benzoxazole-3-carboxamide

SMILES

Cc(n(Cc(c(Cl)ccc1)c1Cl)nc1C)c1NC(c1noc2c1CCCC2)=O

InChI

InChI=1S/C20H20Cl2N4O2/c1-11-18(23-20(27)19-13-6-3-4-9-17(13)28-25-19)12(2)26(24-11)10-14-15(21)7-5-8-16(14)22/h5,7-8H,3-4,6,9-10H2,1-2H3,(H,23,27)

InChI Key

IHLDZISZBUQSSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.555

Distribution Coefficient, logD

3.554

Water Solubility, LogSw

-3.79

Polar Surface Area

58.616

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C226-3417 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C226-3417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-3417?
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What is the minimum amount of C226-3417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-3417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-3417
  • 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 C226-3417 available by request