5636-0855 Screening compound: [(2-ethyl-6-methylphenyl)carbamoyl]methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

5636-0855 Screening compound: [(2-ethyl-6-methylphenyl)carbamoyl]methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
5636-0855 Screening compound: [(2-ethyl-6-methylphenyl)carbamoyl]methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5636-0855
[(2-ethyl-6-methylphenyl)carbamoyl]methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-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

5636-0855

Molecular Formula

C23H26N2O5 (C23 H26 N2 O5)

Compound Name

[(2-ethyl-6-methylphenyl)carbamoyl]methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

IUPAC name

[(2-ethyl-6-methylphenyl)carbamoyl]methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

SMILES

CCc(cccc1C)c1NC(COC(C(CC1=O)CN1c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C23H26N2O5/c1-4-16-7-5-6-15(2)22(16)24-20(26)14-30-23(28)17-12-21(27)25(13-17)18-8-10-19(29-3)11-9-18/h5-11,17H,4,12-14H2,1-3H3,(H,24,26)/t17-/m1/s1

InChI Key

COPPRONDVCNZDG-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03257489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.002

Distribution Coefficient, logD

3.002

Water Solubility, LogSw

-2.96

Polar Surface Area

67.143

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

5636-0855 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5636-0855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5636-0855?
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What is the minimum amount of 5636-0855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5636-0855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5636-0855
  • 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 5636-0855 available by request