4514-0160 Screening compound: 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide

4514-0160 Screening compound: 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide
4514-0160 Screening compound: 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-0160
2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide

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

4514-0160

Molecular Formula

C28H29N3O5S (C28 H29 N3 O5 S)

Compound Name

2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide

IUPAC name

2-{3-[2-(34-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide

SMILES

COc(cc1)ccc1NC(CC(C(N1c2ccccc2)=O)N(CCc(cc2)cc(OC)c2OC)C1=S)=O

InChI

InChI=1S/C28H29N3O5S/c1-34-22-12-10-20(11-13-22)29-26(32)18-23-27(33)31(21-7-5-4-6-8-21)28(37)30(23)16-15-19-9-14-24(35-2)25(17-19)36-3/h4-14,17,23H,15-16,18H2,1-3H3,(H,29,32)/t23-/m1/s1

InChI Key

WLHTVODOIYBQAA-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD02142102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.62

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

3.395

Distribution Coefficient, logD

3.395

Water Solubility, LogSw

-3.92

Polar Surface Area

64.180

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

4514-0160 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 4514-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-0160?
Check Price and Availability of 4514-0160, 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 4514-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-0160
  • 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 4514-0160 available by request