5848-2863 Screening compound: 4-({4-chloro-1-[4-(ethoxycarbonyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoic acid

5848-2863 Screening compound: 4-({4-chloro-1-[4-(ethoxycarbonyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoic acid
5848-2863 Screening compound: 4-({4-chloro-1-[4-(ethoxycarbonyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5848-2863
4-({4-chloro-1-[4-(ethoxycarbonyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoic acid

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

5848-2863

Molecular Formula

C20H15ClN2O6 (C20 H15 ClN2 O6)

Compound Name

4-({4-chloro-1-[4-(ethoxycarbonyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoic acid

IUPAC name

4-({4-chloro-1-[4-(ethoxycarbonyl)phenyl]-25-dioxo-25-dihydro-1H-pyrrol-3-yl}amino)benzoic acid

SMILES

CCOC(c(cc1)ccc1N(C(C(Nc(cc1)ccc1C(O)=O)=C1Cl)=O)C1=O)=O

InChI

InChI=1S/C20H15ClN2O6/c1-2-29-20(28)12-5-9-14(10-6-12)23-17(24)15(21)16(18(23)25)22-13-7-3-11(4-8-13)19(26)27/h3-10,22H,2H2,1H3,(H,26,27)

InChI Key

WWXUUJSRWZKZCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04063866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.8

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.368

Distribution Coefficient, logD

0.973

Water Solubility, LogSw

-3.70

Polar Surface Area

87.425

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

5848-2863 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 5848-2863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5848-2863?
Check Price and Availability of 5848-2863, 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 5848-2863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5848-2863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5848-2863
  • 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 5848-2863 available by request