5636-0437 Screening compound: 1-(4-{[(2-fluorophenyl)carbamoyl]methoxy}phenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

5636-0437 Screening compound: 1-(4-{[(2-fluorophenyl)carbamoyl]methoxy}phenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
5636-0437 Screening compound: 1-(4-{[(2-fluorophenyl)carbamoyl]methoxy}phenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5636-0437
1-(4-{[(2-fluorophenyl)carbamoyl]methoxy}phenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

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

5636-0437

Molecular Formula

C27H26FN3O5 (C27 H26 FN3 O5)

Compound Name

1-(4-{[(2-fluorophenyl)carbamoyl]methoxy}phenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-(4-{[(2-fluorophenyl)carbamoyl]methoxy}phenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

SMILES

COc1ccc(CNC(C(CC2=O)CN2c(cc2)ccc2OCC(Nc(cccc2)c2F)=O)=O)cc1

InChI

InChI=1S/C27H26FN3O5/c1-35-21-10-6-18(7-11-21)15-29-27(34)19-14-26(33)31(16-19)20-8-12-22(13-9-20)36-17-25(32)30-24-5-3-2-4-23(24)28/h2-13,19H,14-17H2,1H3,(H,29,34)(H,30,32)/t19-/m1/s1

InChI Key

YCNWVCWTVVYFCD-LJQANCHMSA-N

MDL Number (MFCD)

MFCD03827730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.575

Distribution Coefficient, logD

2.575

Water Solubility, LogSw

-3.01

Polar Surface Area

78.625

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

5636-0437 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 5636-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5636-0437?
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What is the minimum amount of 5636-0437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5636-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5636-0437
  • 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 5636-0437 available by request