4514-1171 Screening compound: methyl 4-(2-{3-[(furan-2-yl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate

4514-1171 Screening compound: methyl 4-(2-{3-[(furan-2-yl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
4514-1171 Screening compound: methyl 4-(2-{3-[(furan-2-yl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-1171
methyl 4-(2-{3-[(furan-2-yl)methyl]-5-oxo-1-phenyl-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

4514-1171

Molecular Formula

C24H21N3O5S (C24 H21 N3 O5 S)

Compound Name

methyl 4-(2-{3-[(furan-2-yl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate

IUPAC name

methyl 4-(2-{3-[(furan-2-yl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate

SMILES

COC(c(cc1)ccc1NC(CC(C(N1c2ccccc2)=O)N(Cc2ccco2)C1=S)=O)=O

InChI

InChI=1S/C24H21N3O5S/c1-31-23(30)16-9-11-17(12-10-16)25-21(28)14-20-22(29)27(18-6-3-2-4-7-18)24(33)26(20)15-19-8-5-13-32-19/h2-13,20H,14-15H2,1H3,(H,25,28)/t20-/m1/s1

InChI Key

GDUCXWWPYGACBB-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD02231317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.086

Distribution Coefficient, logD

3.086

Water Solubility, LogSw

-3.49

Polar Surface Area

70.320

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

4514-1171 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 4514-1171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-1171?
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What is the minimum amount of 4514-1171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-1171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-1171
  • 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 4514-1171 available by request