C636-2236 Screening compound: ethyl 4-{2-[3-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamido}benzoate

C636-2236 Screening compound: ethyl 4-{2-[3-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamido}benzoate
C636-2236 Screening compound: ethyl 4-{2-[3-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C636-2236
ethyl 4-{2-[3-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamido}benzoate

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

C636-2236

Molecular Formula

C27H31N3O6 (C27 H31 N3 O6)

Compound Name

ethyl 4-{2-[3-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[3-cyclohexyl-1-(4-methoxyphenyl)-25-dioxoimidazolidin-4-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CC(C(N1c(cc2)ccc2OC)=O)N(C2CCCCC2)C1=O)=O)=O

InChI

InChI=1S/C27H31N3O6/c1-3-36-26(33)18-9-11-19(12-10-18)28-24(31)17-23-25(32)30(21-13-15-22(35-2)16-14-21)27(34)29(23)20-7-5-4-6-8-20/h9-16,20,23H,3-8,17H2,1-2H3,(H,28,31)/t23-/m1/s1

InChI Key

VPJWTGHFGQKPRR-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD06165206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.253

Distribution Coefficient, logD

4.253

Water Solubility, LogSw

-4.08

Polar Surface Area

82.224

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

C636-2236 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

SH2 Library (10483 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C636-2236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C636-2236?
Check Price and Availability of C636-2236, 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 C636-2236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C636-2236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C636-2236
  • 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 C636-2236 available by request