C721-0150 Screening compound: ethyl 2,4-dimethyl-1-{[(2-methylbutan-2-yl)carbamoyl]methyl}-5-phenyl-1H-pyrrole-3-carboxylate

C721-0150 Screening compound: ethyl 2,4-dimethyl-1-{[(2-methylbutan-2-yl)carbamoyl]methyl}-5-phenyl-1H-pyrrole-3-carboxylate
C721-0150 Screening compound: ethyl 2,4-dimethyl-1-{[(2-methylbutan-2-yl)carbamoyl]methyl}-5-phenyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C721-0150
ethyl 2,4-dimethyl-1-{[(2-methylbutan-2-yl)carbamoyl]methyl}-5-phenyl-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

C721-0150

Molecular Formula

C22H30N2O3 (C22 H30 N2 O3)

Compound Name

ethyl 2,4-dimethyl-1-{[(2-methylbutan-2-yl)carbamoyl]methyl}-5-phenyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 24-dimethyl-1-{[(2-methylbutan-2-yl)carbamoyl]methyl}-5-phenyl-1H-pyrrole-3-carboxylate

SMILES

CCC(C)(C)NC(Cn1c(-c2ccccc2)c(C)c(C(OCC)=O)c1C)=O

InChI

InChI=1S/C22H30N2O3/c1-7-22(5,6)23-18(25)14-24-16(4)19(21(26)27-8-2)15(3)20(24)17-12-10-9-11-13-17/h9-13H,7-8,14H2,1-6H3,(H,23,25)

InChI Key

KNRJDGZBYRZHBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.49

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

4.187

Distribution Coefficient, logD

4.187

Water Solubility, LogSw

-4.19

Polar Surface Area

45.481

Acid Dissociation Constant (pKa)

15.34

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with C721-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C721-0150?
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What is the minimum amount of C721-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C721-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C721-0150
  • 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 C721-0150 available by request