5636-0796 Screening compound: [(4-ethylphenyl)carbamoyl]methyl 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate

5636-0796 Screening compound: [(4-ethylphenyl)carbamoyl]methyl 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
5636-0796 Screening compound: [(4-ethylphenyl)carbamoyl]methyl 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5636-0796
[(4-ethylphenyl)carbamoyl]methyl 1-(4-fluorophenyl)-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

5636-0796

Molecular Formula

C21H21FN2O4 (C21 H21 FN2 O4)

Compound Name

[(4-ethylphenyl)carbamoyl]methyl 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate

IUPAC name

[(4-ethylphenyl)carbamoyl]methyl 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate

SMILES

CCc(cc1)ccc1NC(COC(C(CC1=O)CN1c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C21H21FN2O4/c1-2-14-3-7-17(8-4-14)23-19(25)13-28-21(27)15-11-20(26)24(12-15)18-9-5-16(22)6-10-18/h3-10,15H,2,11-13H2,1H3,(H,23,25)/t15-/m1/s1

InChI Key

XRQRULFJZLKVPI-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03254785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.311

Distribution Coefficient, logD

3.311

Water Solubility, LogSw

-3.45

Polar Surface Area

60.995

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 5636-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5636-0796?
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What is the minimum amount of 5636-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5636-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5636-0796
  • 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 5636-0796 available by request