5593-2270 Screening compound: methyl 2-(3-benzyl-5-{[(4-methoxyphenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl)acetate

5593-2270 Screening compound: methyl 2-(3-benzyl-5-{[(4-methoxyphenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl)acetate
5593-2270 Screening compound: methyl 2-(3-benzyl-5-{[(4-methoxyphenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-2270
methyl 2-(3-benzyl-5-{[(4-methoxyphenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl)acetate

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

5593-2270

Molecular Formula

C22H23N3O5S (C22 H23 N3 O5 S)

Compound Name

methyl 2-(3-benzyl-5-{[(4-methoxyphenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl)acetate

IUPAC name

methyl 2-(3-benzyl-5-{[(4-methoxyphenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl)acetate

SMILES

COC(CN(C(CC(Nc(cc1)ccc1OC)=O)C(N1Cc2ccccc2)=O)C1=S)=O

InChI

InChI=1S/C22H23N3O5S/c1-29-17-10-8-16(9-11-17)23-19(26)12-18-21(28)25(13-15-6-4-3-5-7-15)22(31)24(18)14-20(27)30-2/h3-11,18H,12-14H2,1-2H3,(H,23,26)/t18-/m1/s1

InChI Key

JMIOZQIBNKSPPD-GOSISDBHSA-N

MDL Number (MFCD)

MFCD02143162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.275

Distribution Coefficient, logD

2.275

Water Solubility, LogSw

-2.82

Polar Surface Area

70.403

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

5593-2270 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5593-2270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-2270?
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What is the minimum amount of 5593-2270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-2270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-2270
  • 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 5593-2270 available by request