2798-1545 Screening compound: ethyl 4-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoate

2798-1545 Screening compound: ethyl 4-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoate
2798-1545 Screening compound: ethyl 4-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2798-1545
ethyl 4-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoate

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

2798-1545

Molecular Formula

C19H15ClN2O4 (C19 H15 ClN2 O4)

Compound Name

ethyl 4-[(4-chloro-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)amino]benzoate

IUPAC name

ethyl 4-[(4-chloro-25-dioxo-1-phenyl-25-dihydro-1H-pyrrol-3-yl)amino]benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(N(C1=O)c2ccccc2)=O)=C1Cl)=O

InChI

InChI=1S/C19H15ClN2O4/c1-2-26-19(25)12-8-10-13(11-9-12)21-16-15(20)17(23)22(18(16)24)14-6-4-3-5-7-14/h3-11,21H,2H2,1H3

InChI Key

MRJXCSALXFMWJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01918338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.398

Distribution Coefficient, logD

3.247

Water Solubility, LogSw

-3.85

Polar Surface Area

59.017

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-9.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 2798-1545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2798-1545?
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What is the minimum amount of 2798-1545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2798-1545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2798-1545
  • 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 2798-1545 available by request