2738-0102 Screening compound: ethyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate

2738-0102 Screening compound: ethyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
2738-0102 Screening compound: ethyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2738-0102
ethyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-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

2738-0102

Molecular Formula

C26H31N3O6S (C26 H31 N3 O6 S)

Compound Name

ethyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{3-[2-(34-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate

SMILES

CCN(C(C(CC(Nc(cc1)ccc1C(OCC)=O)=O)N1CCc(cc2)cc(OC)c2OC)=O)C1=S

InChI

InChI=1S/C26H31N3O6S/c1-5-28-24(31)20(16-23(30)27-19-10-8-18(9-11-19)25(32)35-6-2)29(26(28)36)14-13-17-7-12-21(33-3)22(15-17)34-4/h7-12,15,20H,5-6,13-14,16H2,1-4H3,(H,27,30)/t20-/m1/s1

InChI Key

HTGFGVVKXVTFNE-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD02142681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.309

Distribution Coefficient, logD

3.309

Water Solubility, LogSw

-3.65

Polar Surface Area

77.998

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

2738-0102 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 2738-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2738-0102?
Check Price and Availability of 2738-0102, 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 2738-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2738-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2738-0102
  • 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 2738-0102 available by request