3230-1953 Screening compound: 1-(4-bromophenyl)-3-chloro-4-[(4-methoxyphenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione

3230-1953 Screening compound: 1-(4-bromophenyl)-3-chloro-4-[(4-methoxyphenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione
3230-1953 Screening compound: 1-(4-bromophenyl)-3-chloro-4-[(4-methoxyphenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3230-1953
1-(4-bromophenyl)-3-chloro-4-[(4-methoxyphenyl)amino]-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

3230-1953

Molecular Formula

C17H12BrClN2O3 (C17 H12 BrClN2 O3)

Compound Name

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

IUPAC name

1-(4-bromophenyl)-3-chloro-4-[(4-methoxyphenyl)amino]-25-dihydro-1H-pyrrole-25-dione

SMILES

COc(cc1)ccc1NC(C(N(C1=O)c(cc2)ccc2Br)=O)=C1Cl

InChI

InChI=1S/C17H12BrClN2O3/c1-24-13-8-4-11(5-9-13)20-15-14(19)16(22)21(17(15)23)12-6-2-10(18)3-7-12/h2-9,20H,1H3

InChI Key

MXKBLPDOPZPKBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02332101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.65

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

3.735

Distribution Coefficient, logD

3.727

Water Solubility, LogSw

-4.20

Polar Surface Area

45.807

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

3230-1953 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 3230-1953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3230-1953?
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What is the minimum amount of 3230-1953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3230-1953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3230-1953
  • 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 3230-1953 available by request