4514-0525 Screening compound: 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide

4514-0525 Screening compound: 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide
4514-0525 Screening compound: 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-0525
2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide

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

4514-0525

Molecular Formula

C20H18FN3O4S (C20 H18 FN3 O4 S)

Compound Name

2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide

IUPAC name

2-{3-[(2H-13-benzodioxol-5-yl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide

SMILES

CN(C(C(CC(Nc(cc1)ccc1F)=O)N1Cc(cc2)cc3c2OCO3)=O)C1=S

InChI

InChI=1S/C20H18FN3O4S/c1-23-19(26)15(9-18(25)22-14-5-3-13(21)4-6-14)24(20(23)29)10-12-2-7-16-17(8-12)28-11-27-16/h2-8,15H,9-11H2,1H3,(H,22,25)/t15-/m1/s1

InChI Key

NISJYTXTLTXIQE-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03017492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.084

Distribution Coefficient, logD

2.084

Water Solubility, LogSw

-3.14

Polar Surface Area

59.161

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4514-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-0525?
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What is the minimum amount of 4514-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-0525
  • 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 4514-0525 available by request