8014-8479 Screening compound: methyl 4-({2-[1-(4-methoxyphenyl)-3-(2-morpholinoethyl)-5-oxo-2-thioxo-4-imidazolidinyl]acetyl}amino)benzoate

8014-8479 Screening compound: methyl 4-({2-[1-(4-methoxyphenyl)-3-(2-morpholinoethyl)-5-oxo-2-thioxo-4-imidazolidinyl]acetyl}amino)benzoate
8014-8479 Screening compound: methyl 4-({2-[1-(4-methoxyphenyl)-3-(2-morpholinoethyl)-5-oxo-2-thioxo-4-imidazolidinyl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8479
methyl 4-({2-[1-(4-methoxyphenyl)-3-(2-morpholinoethyl)-5-oxo-2-thioxo-4-imidazolidinyl]acetyl}amino)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

8014-8479

Molecular Formula

C26H30N4O6S (C26 H30 N4 O6 S)

Compound Name

methyl 4-({2-[1-(4-methoxyphenyl)-3-(2-morpholinoethyl)-5-oxo-2-thioxo-4-imidazolidinyl]acetyl}amino)benzoate

IUPAC name

methyl 4-{2-[1-(4-methoxyphenyl)-3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate

SMILES

COC(c(cc1)ccc1NC(CC(C(N1c(cc2)ccc2OC)=O)N(CCN2CCOCC2)C1=S)=O)=O

InChI

InChI=1S/C26H30N4O6S/c1-34-21-9-7-20(8-10-21)30-24(32)22(29(26(30)37)12-11-28-13-15-36-16-14-28)17-23(31)27-19-5-3-18(4-6-19)25(33)35-2/h3-10,22H,11-17H2,1-2H3,(H,27,31)/t22-/m1/s1

InChI Key

GLWWOKLSGFQIMR-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03820371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.61

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.869

Distribution Coefficient, logD

1.419

Water Solubility, LogSw

-2.53

Polar Surface Area

81.984

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

8014-8479 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 8014-8479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8479?
Check Price and Availability of 8014-8479, 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 8014-8479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8479
  • 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 8014-8479 available by request