C721-0788 Screening compound: ethyl 1-{2-[(2-chlorophenyl)carbamoyl]ethyl}-2-methyl-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate

C721-0788 Screening compound: ethyl 1-{2-[(2-chlorophenyl)carbamoyl]ethyl}-2-methyl-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
C721-0788 Screening compound: ethyl 1-{2-[(2-chlorophenyl)carbamoyl]ethyl}-2-methyl-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C721-0788
ethyl 1-{2-[(2-chlorophenyl)carbamoyl]ethyl}-2-methyl-5-(4-methylphenyl)-1H-pyrrole-3-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

C721-0788

Molecular Formula

C24H25ClN2O3 (C24 H25 ClN2 O3)

Compound Name

ethyl 1-{2-[(2-chlorophenyl)carbamoyl]ethyl}-2-methyl-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 1-{2-[(2-chlorophenyl)carbamoyl]ethyl}-2-methyl-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)n(CCC(Nc(cccc2)c2Cl)=O)c(-c2ccc(C)cc2)c1)=O

InChI

InChI=1S/C24H25ClN2O3/c1-4-30-24(29)19-15-22(18-11-9-16(2)10-12-18)27(17(19)3)14-13-23(28)26-21-8-6-5-7-20(21)25/h5-12,15H,4,13-14H2,1-3H3,(H,26,28)

InChI Key

RWMXIXUBCKNHER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.452

Distribution Coefficient, logD

5.451

Water Solubility, LogSw

-5.80

Polar Surface Area

44.101

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C721-0788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C721-0788?
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What is the minimum amount of C721-0788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C721-0788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C721-0788
  • 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 C721-0788 available by request