2739-0410 Screening compound: methyl 4-{2-[3-(2-methoxy-2-oxoethyl)-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate

2739-0410 Screening compound: methyl 4-{2-[3-(2-methoxy-2-oxoethyl)-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate
2739-0410 Screening compound: methyl 4-{2-[3-(2-methoxy-2-oxoethyl)-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2739-0410
methyl 4-{2-[3-(2-methoxy-2-oxoethyl)-1-(4-methoxyphenyl)-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

2739-0410

Molecular Formula

C23H23N3O7S (C23 H23 N3 O7 S)

Compound Name

methyl 4-{2-[3-(2-methoxy-2-oxoethyl)-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate

IUPAC name

methyl 4-{2-[3-(2-methoxy-2-oxoethyl)-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate

SMILES

COC(CN(C(CC(Nc(cc1)ccc1C(OC)=O)=O)C(N1c(cc2)ccc2OC)=O)C1=S)=O

InChI

InChI=1S/C23H23N3O7S/c1-31-17-10-8-16(9-11-17)26-21(29)18(25(23(26)34)13-20(28)32-2)12-19(27)24-15-6-4-14(5-7-15)22(30)33-3/h4-11,18H,12-13H2,1-3H3,(H,24,27)/t18-/m1/s1

InChI Key

JTCQPELIIIJMID-GOSISDBHSA-N

MDL Number (MFCD)

MFCD02142440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.52

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.890

Distribution Coefficient, logD

1.889

Water Solubility, LogSw

-2.67

Polar Surface Area

90.965

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

2739-0410 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 2739-0410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2739-0410?
Check Price and Availability of 2739-0410, 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 2739-0410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2739-0410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2739-0410
  • 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 2739-0410 available by request