4491-0808 Screening compound: 3-CHLORO-1-(4-CHLOROPHENYL)-4-[(2-FURYLMETHYL)AMINO]-1H-PYRROLE-2,5-DIONE

4491-0808 Screening compound: 3-CHLORO-1-(4-CHLOROPHENYL)-4-[(2-FURYLMETHYL)AMINO]-1H-PYRROLE-2,5-DIONE
4491-0808 Screening compound: 3-CHLORO-1-(4-CHLOROPHENYL)-4-[(2-FURYLMETHYL)AMINO]-1H-PYRROLE-2,5-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-0808
3-CHLORO-1-(4-CHLOROPHENYL)-4-[(2-FURYLMETHYL)AMINO]-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

4491-0808

Molecular Formula

C15H10Cl2N2O3 (C15 H10 Cl2 N2 O3)

Compound Name

3-CHLORO-1-(4-CHLOROPHENYL)-4-[(2-FURYLMETHYL)AMINO]-1H-PYRROLE-2,5-DIONE

IUPAC name

n/a

SMILES

O=C(C(NCc1ccco1)=C(C1=O)Cl)N1c(cc1)ccc1Cl

InChI

InChI=1S/C15H10Cl2N2O3/c16-9-3-5-10(6-4-9)19-14(20)12(17)13(15(19)21)18-8-11-2-1-7-22-11/h1-7,18H,8H2

InChI Key

CLUFHEPIHQRNCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01649879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.16

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

2.828

Distribution Coefficient, logD

2.826

Water Solubility, LogSw

-3.48

Polar Surface Area

47.334

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

-8.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

4491-0808 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4491-0808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-0808?
Check Price and Availability of 4491-0808, 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 4491-0808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-0808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-0808
  • 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 4491-0808 available by request