5636-0618 Screening compound: 1-(4-{[(2,5-dimethylphenyl)carbamoyl]methoxy}phenyl)-5-oxo-N-(prop-2-en-1-yl)pyrrolidine-3-carboxamide

5636-0618 Screening compound: 1-(4-{[(2,5-dimethylphenyl)carbamoyl]methoxy}phenyl)-5-oxo-N-(prop-2-en-1-yl)pyrrolidine-3-carboxamide
5636-0618 Screening compound: 1-(4-{[(2,5-dimethylphenyl)carbamoyl]methoxy}phenyl)-5-oxo-N-(prop-2-en-1-yl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5636-0618
1-(4-{[(2,5-dimethylphenyl)carbamoyl]methoxy}phenyl)-5-oxo-N-(prop-2-en-1-yl)pyrrolidine-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

5636-0618

Molecular Formula

C24H27N3O4 (C24 H27 N3 O4)

Compound Name

1-(4-{[(2,5-dimethylphenyl)carbamoyl]methoxy}phenyl)-5-oxo-N-(prop-2-en-1-yl)pyrrolidine-3-carboxamide

IUPAC name

1-(4-{[(25-dimethylphenyl)carbamoyl]methoxy}phenyl)-5-oxo-N-(prop-2-en-1-yl)pyrrolidine-3-carboxamide

SMILES

Cc1cc(NC(COc(cc2)ccc2N(CC(C2)C(NCC=C)=O)C2=O)=O)c(C)cc1

InChI

InChI=1S/C24H27N3O4/c1-4-11-25-24(30)18-13-23(29)27(14-18)19-7-9-20(10-8-19)31-15-22(28)26-21-12-16(2)5-6-17(21)3/h4-10,12,18H,1,11,13-15H2,2-3H3,(H,25,30)(H,26,28)/t18-/m1/s1

InChI Key

WKSDFTCKNNDBSR-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03255678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.009

Distribution Coefficient, logD

2.009

Water Solubility, LogSw

-2.51

Polar Surface Area

71.194

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

5636-0618 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 5636-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5636-0618?
Check Price and Availability of 5636-0618, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5636-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5636-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5636-0618
  • 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 5636-0618 available by request