8020-4406 Screening compound: N~1~-(2-{[(4-chloroanilino)carbonyl]amino}-6-methylphenyl)-2-methylpropanamide

8020-4406 Screening compound: N~1~-(2-{[(4-chloroanilino)carbonyl]amino}-6-methylphenyl)-2-methylpropanamide
8020-4406 Screening compound: N~1~-(2-{[(4-chloroanilino)carbonyl]amino}-6-methylphenyl)-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4406
N~1~-(2-{[(4-chloroanilino)carbonyl]amino}-6-methylphenyl)-2-methylpropanamide

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

8020-4406

Molecular Formula

C18H20ClN3O2 (C18 H20 ClN3 O2)

Compound Name

N~1~-(2-{[(4-chloroanilino)carbonyl]amino}-6-methylphenyl)-2-methylpropanamide

IUPAC name

N-(2-{[(4-chlorophenyl)carbamoyl]amino}-6-methylphenyl)-2-methylpropanamide

SMILES

CC(C)C(Nc(c(C)ccc1)c1NC(Nc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C18H20ClN3O2/c1-11(2)17(23)22-16-12(3)5-4-6-15(16)21-18(24)20-14-9-7-13(19)8-10-14/h4-11H,1-3H3,(H,22,23)(H2,20,21,24)

InChI Key

BJAKFNVDPXFYBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08072889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.417

Distribution Coefficient, logD

4.414

Water Solubility, LogSw

-4.61

Polar Surface Area

53.811

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8020-4406 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8020-4406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4406?
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What is the minimum amount of 8020-4406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4406
  • 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 8020-4406 available by request