4482-2822 Screening compound: 2-methoxy-4-{[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenyl adamantane-1-carboxylate

4482-2822 Screening compound: 2-methoxy-4-{[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenyl adamantane-1-carboxylate
4482-2822 Screening compound: 2-methoxy-4-{[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenyl adamantane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4482-2822
2-methoxy-4-{[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenyl adamantane-1-carboxylate

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

4482-2822

Molecular Formula

C22H24N2O4S (C22 H24 N2 O4 S)

Compound Name

2-methoxy-4-{[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenyl adamantane-1-carboxylate

IUPAC name

2-methoxy-4-{[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenyl adamantane-1-carboxylate

SMILES

COc(cc(/C=C(\C(N1)=O)/NC1=S)cc1)c1OC(C1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C22H24N2O4S/c1-27-18-8-12(7-16-19(25)24-21(29)23-16)2-3-17(18)28-20(26)22-9-13-4-14(10-22)6-15(5-13)11-22/h2-3,7-8,13-15H,4-6,9-11H2,1H3,(H2,23,24,25,29)

InChI Key

KNVDZKUARCPDPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04083188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.432

Distribution Coefficient, logD

4.411

Water Solubility, LogSw

-4.54

Polar Surface Area

64.422

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 4482-2822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4482-2822?
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What is the minimum amount of 4482-2822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4482-2822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4482-2822
  • 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 4482-2822 available by request