C722-0135 Screening compound: ethyl 4-[(4-chlorophenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

C722-0135 Screening compound: ethyl 4-[(4-chlorophenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
C722-0135 Screening compound: ethyl 4-[(4-chlorophenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C722-0135
ethyl 4-[(4-chlorophenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

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

C722-0135

Molecular Formula

C16H17ClN2O3 (C16 H17 ClN2 O3)

Compound Name

ethyl 4-[(4-chlorophenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-[(4-chlorophenyl)carbamoyl]-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(C(Nc(cc2)ccc2Cl)=O)c(C)[nH]1)=O

InChI

InChI=1S/C16H17ClN2O3/c1-4-22-16(21)14-9(2)13(10(3)18-14)15(20)19-12-7-5-11(17)6-8-12/h5-8,18H,4H2,1-3H3,(H,19,20)

InChI Key

UDQLBKHDQNCWFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03081817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.710

Distribution Coefficient, logD

3.686

Water Solubility, LogSw

-4.73

Polar Surface Area

55.065

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C722-0135 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C722-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C722-0135?
Check Price and Availability of C722-0135, 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 C722-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C722-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C722-0135
  • 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 C722-0135 available by request