C636-1329 Screening compound: ethyl 4-(2-{2,5-dioxo-1-phenyl-3-[2-(thiophen-2-yl)ethyl]imidazolidin-4-yl}acetamido)benzoate

C636-1329 Screening compound: ethyl 4-(2-{2,5-dioxo-1-phenyl-3-[2-(thiophen-2-yl)ethyl]imidazolidin-4-yl}acetamido)benzoate
C636-1329 Screening compound: ethyl 4-(2-{2,5-dioxo-1-phenyl-3-[2-(thiophen-2-yl)ethyl]imidazolidin-4-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C636-1329
ethyl 4-(2-{2,5-dioxo-1-phenyl-3-[2-(thiophen-2-yl)ethyl]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

C636-1329

Molecular Formula

C26H25N3O5S (C26 H25 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(CC(C(N1c2ccccc2)=O)N(CCc2cccs2)C1=O)=O)=O

InChI

InChI=1S/C26H25N3O5S/c1-2-34-25(32)18-10-12-19(13-11-18)27-23(30)17-22-24(31)29(20-7-4-3-5-8-20)26(33)28(22)15-14-21-9-6-16-35-21/h3-13,16,22H,2,14-15,17H2,1H3,(H,27,30)/t22-/m0/s1

InChI Key

GRCYCQZWZMWARW-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD04139450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.181

Distribution Coefficient, logD

4.181

Water Solubility, LogSw

-4.08

Polar Surface Area

76.455

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

C636-1329 in Drug Discovery

Included in Screening Libraries

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 C636-1329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C636-1329?
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What is the minimum amount of C636-1329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C636-1329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C636-1329
  • 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 C636-1329 available by request