K783-3013 Screening compound: 3-(4-phenoxyphenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidin-4-one

K783-3013 Screening compound: 3-(4-phenoxyphenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidin-4-one
K783-3013 Screening compound: 3-(4-phenoxyphenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-3013
3-(4-phenoxyphenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidin-4-one

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

K783-3013

Molecular Formula

C25H24N2O5S (C25 H24 N2 O5 S)

Compound Name

3-(4-phenoxyphenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidin-4-one

IUPAC name

3-(4-phenoxyphenyl)-2-sulfanylidene-1-[(345-trimethoxyphenyl)methyl]imidazolidin-4-one

SMILES

COc1cc(CN(CC(N2c(cc3)ccc3Oc3ccccc3)=O)C2=S)cc(OC)c1OC

InChI

InChI=1S/C25H24N2O5S/c1-29-21-13-17(14-22(30-2)24(21)31-3)15-26-16-23(28)27(25(26)33)18-9-11-20(12-10-18)32-19-7-5-4-6-8-19/h4-14H,15-16H2,1-3H3

InChI Key

SCFRKBMXMLDPRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15095794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.671

Distribution Coefficient, logD

3.671

Water Solubility, LogSw

-4.11

Polar Surface Area

49.166

Acid Dissociation Constant (pKa)

17.67

Base Dissociation Constant (pKb)

-4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K783-3013 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K783-3013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-3013?
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What is the minimum amount of K783-3013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-3013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-3013
  • 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 K783-3013 available by request