4248-0127 Screening compound: 3-chloro-4-[(5-chloro-2-methoxyphenyl)amino]-1-(2,3-dimethylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

4248-0127 Screening compound: 3-chloro-4-[(5-chloro-2-methoxyphenyl)amino]-1-(2,3-dimethylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
4248-0127 Screening compound: 3-chloro-4-[(5-chloro-2-methoxyphenyl)amino]-1-(2,3-dimethylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4248-0127
3-chloro-4-[(5-chloro-2-methoxyphenyl)amino]-1-(2,3-dimethylphenyl)-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

4248-0127

Molecular Formula

C19H16Cl2N2O3 (C19 H16 Cl2 N2 O3)

Compound Name

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

IUPAC name

3-chloro-4-[(5-chloro-2-methoxyphenyl)amino]-1-(23-dimethylphenyl)-25-dihydro-1H-pyrrole-25-dione

SMILES

Cc1cccc(N(C(C(Nc(cc(cc2)Cl)c2OC)=C2Cl)=O)C2=O)c1C

InChI

InChI=1S/C19H16Cl2N2O3/c1-10-5-4-6-14(11(10)2)23-18(24)16(21)17(19(23)25)22-13-9-12(20)7-8-15(13)26-3/h4-9,22H,1-3H3

InChI Key

PTMOCPPTKJWWFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02072498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.518

Distribution Coefficient, logD

3.870

Water Solubility, LogSw

-4.67

Polar Surface Area

44.895

Acid Dissociation Constant (pKa)

6.86

Base Dissociation Constant (pKb)

-10.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

4248-0127 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 4248-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4248-0127?
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What is the minimum amount of 4248-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4248-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4248-0127
  • 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 4248-0127 available by request