2738-0009 Screening compound: ethyl 4-{2-[5-oxo-1,3-bis(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate

2738-0009 Screening compound: ethyl 4-{2-[5-oxo-1,3-bis(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate
2738-0009 Screening compound: ethyl 4-{2-[5-oxo-1,3-bis(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2738-0009
ethyl 4-{2-[5-oxo-1,3-bis(2-phenylethyl)-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

2738-0009

Molecular Formula

C30H31N3O4S (C30 H31 N3 O4 S)

Compound Name

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

IUPAC name

ethyl 4-{2-[5-oxo-13-bis(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CC(C(N1CCc2ccccc2)=O)N(CCc2ccccc2)C1=S)=O)=O

InChI

InChI=1S/C30H31N3O4S/c1-2-37-29(36)24-13-15-25(16-14-24)31-27(34)21-26-28(35)33(20-18-23-11-7-4-8-12-23)30(38)32(26)19-17-22-9-5-3-6-10-22/h3-16,26H,2,17-21H2,1H3,(H,31,34)/t26-/m1/s1

InChI Key

HQQARJSMSDUOMK-AREMUKBSSA-N

MDL Number (MFCD)

MFCD02142521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.193

Distribution Coefficient, logD

5.193

Water Solubility, LogSw

-5.12

Polar Surface Area

62.719

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

2738-0009 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 2738-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2738-0009?
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What is the minimum amount of 2738-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2738-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2738-0009
  • 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 2738-0009 available by request