C636-2244 Screening compound: ethyl 3-{2-[1-(4-fluorophenyl)-2,5-dioxo-3-[(thiophen-2-yl)methyl]imidazolidin-4-yl]acetamido}benzoate

C636-2244 Screening compound: ethyl 3-{2-[1-(4-fluorophenyl)-2,5-dioxo-3-[(thiophen-2-yl)methyl]imidazolidin-4-yl]acetamido}benzoate
C636-2244 Screening compound: ethyl 3-{2-[1-(4-fluorophenyl)-2,5-dioxo-3-[(thiophen-2-yl)methyl]imidazolidin-4-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C636-2244
ethyl 3-{2-[1-(4-fluorophenyl)-2,5-dioxo-3-[(thiophen-2-yl)methyl]imidazolidin-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

C636-2244

Molecular Formula

C25H22FN3O5S (C25 H22 FN3 O5 S)

Compound Name

ethyl 3-{2-[1-(4-fluorophenyl)-2,5-dioxo-3-[(thiophen-2-yl)methyl]imidazolidin-4-yl]acetamido}benzoate

IUPAC name

ethyl 3-{2-[1-(4-fluorophenyl)-25-dioxo-3-[(thiophen-2-yl)methyl]imidazolidin-4-yl]acetamido}benzoate

SMILES

CCOC(c1cccc(NC(CC(C(N2c(cc3)ccc3F)=O)N(Cc3cccs3)C2=O)=O)c1)=O

InChI

InChI=1S/C25H22FN3O5S/c1-2-34-24(32)16-5-3-6-18(13-16)27-22(30)14-21-23(31)29(19-10-8-17(26)9-11-19)25(33)28(21)15-20-7-4-12-35-20/h3-13,21H,2,14-15H2,1H3,(H,27,30)/t21-/m0/s1

InChI Key

AERDMOWLDXADLR-NRFANRHFSA-N

MDL Number (MFCD)

MFCD05856128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.100

Distribution Coefficient, logD

4.100

Water Solubility, LogSw

-4.16

Polar Surface Area

76.477

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C636-2244 in Drug Discovery

Included in Screening Libraries

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

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 C636-2244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C636-2244?
Check Price and Availability of C636-2244, 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 C636-2244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C636-2244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C636-2244
  • 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 C636-2244 available by request