3993-4126 Screening compound: 3-chloro-4-[(2,5-dimethoxyphenyl)amino]-1-(4-ethylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

3993-4126 Screening compound: 3-chloro-4-[(2,5-dimethoxyphenyl)amino]-1-(4-ethylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
3993-4126 Screening compound: 3-chloro-4-[(2,5-dimethoxyphenyl)amino]-1-(4-ethylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3993-4126
3-chloro-4-[(2,5-dimethoxyphenyl)amino]-1-(4-ethylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

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

3993-4126

Molecular Formula

C20H19ClN2O4 (C20 H19 ClN2 O4)

Compound Name

3-chloro-4-[(2,5-dimethoxyphenyl)amino]-1-(4-ethylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

IUPAC name

3-chloro-4-[(25-dimethoxyphenyl)amino]-1-(4-ethylphenyl)-25-dihydro-1H-pyrrole-25-dione

SMILES

CCc(cc1)ccc1N(C(C(Nc(cc(cc1)OC)c1OC)=C1Cl)=O)C1=O

InChI

InChI=1S/C20H19ClN2O4/c1-4-12-5-7-13(8-6-12)23-19(24)17(21)18(20(23)25)22-15-11-14(26-2)9-10-16(15)27-3/h5-11,22H,4H2,1-3H3

InChI Key

RKKBZWTZAJNQKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02367170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.856

Distribution Coefficient, logD

3.341

Water Solubility, LogSw

-4.31

Polar Surface Area

52.739

Acid Dissociation Constant (pKa)

7.04

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3993-4126 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 3993-4126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3993-4126?
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What is the minimum amount of 3993-4126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3993-4126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3993-4126
  • 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 3993-4126 available by request