8011-0512 Screening compound: ethyl 4-(4-{[(4-methoxyphenyl)carbamoyl]methyl}-5-oxo-3-[2-(pyridin-4-yl)ethyl]-2-sulfanylideneimidazolidin-1-yl)benzoate

8011-0512 Screening compound: ethyl 4-(4-{[(4-methoxyphenyl)carbamoyl]methyl}-5-oxo-3-[2-(pyridin-4-yl)ethyl]-2-sulfanylideneimidazolidin-1-yl)benzoate
8011-0512 Screening compound: ethyl 4-(4-{[(4-methoxyphenyl)carbamoyl]methyl}-5-oxo-3-[2-(pyridin-4-yl)ethyl]-2-sulfanylideneimidazolidin-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-0512
ethyl 4-(4-{[(4-methoxyphenyl)carbamoyl]methyl}-5-oxo-3-[2-(pyridin-4-yl)ethyl]-2-sulfanylideneimidazolidin-1-yl)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

8011-0512

Molecular Formula

C28H28N4O5S (C28 H28 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1N(C(C(CC(Nc(cc1)ccc1OC)=O)N1CCc2ccncc2)=O)C1=S)=O

InChI

InChI=1S/C28H28N4O5S/c1-3-37-27(35)20-4-8-22(9-5-20)32-26(34)24(18-25(33)30-21-6-10-23(36-2)11-7-21)31(28(32)38)17-14-19-12-15-29-16-13-19/h4-13,15-16,24H,3,14,17-18H2,1-2H3,(H,30,33)/t24-/m1/s1

InChI Key

WZZJCBMVZPCCLE-XMMPIXPASA-N

MDL Number (MFCD)

MFCD02647676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.244

Distribution Coefficient, logD

3.199

Water Solubility, LogSw

-3.32

Polar Surface Area

79.101

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8011-0512 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 8011-0512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-0512?
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What is the minimum amount of 8011-0512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-0512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-0512
  • 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 8011-0512 available by request