3453-1097 Screening compound: 3-(benzylamino)-4-chloro-1-(2,4-dimethylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

3453-1097 Screening compound: 3-(benzylamino)-4-chloro-1-(2,4-dimethylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
3453-1097 Screening compound: 3-(benzylamino)-4-chloro-1-(2,4-dimethylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-1097
3-(benzylamino)-4-chloro-1-(2,4-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

3453-1097

Molecular Formula

C19H17ClN2O2 (C19 H17 ClN2 O2)

Compound Name

3-(benzylamino)-4-chloro-1-(2,4-dimethylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

IUPAC name

3-(benzylamino)-4-chloro-1-(24-dimethylphenyl)-25-dihydro-1H-pyrrole-25-dione

SMILES

Cc(cc1)cc(C)c1N(C(C(NCc1ccccc1)=C1Cl)=O)C1=O

InChI

InChI=1S/C19H17ClN2O2/c1-12-8-9-15(13(2)10-12)22-18(23)16(20)17(19(22)24)21-11-14-6-4-3-5-7-14/h3-10,21H,11H2,1-2H3

InChI Key

ULLRVEMBHHDARC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02165627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.677

Distribution Coefficient, logD

3.677

Water Solubility, LogSw

-3.93

Polar Surface Area

39.284

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

3453-1097 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3453-1097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-1097?
Check Price and Availability of 3453-1097, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3453-1097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-1097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-1097
  • 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 3453-1097 available by request