4477-2496 Screening compound: 2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethan-1-one

4477-2496 Screening compound: 2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethan-1-one
4477-2496 Screening compound: 2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-2496
2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethan-1-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

4477-2496

Molecular Formula

C25H18ClN3O2S3 (C25 H18 ClN3 O2 S3)

Compound Name

2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethan-1-one

IUPAC name

2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethan-1-one

SMILES

Oc1cc(CSc(cc2)ccc2Cl)nc(SCC(N2c(cccc3)c3Sc3c2cccc3)=O)n1

InChI

InChI=1S/C25H18ClN3O2S3/c26-16-9-11-18(12-10-16)32-14-17-13-23(30)28-25(27-17)33-15-24(31)29-19-5-1-3-7-21(19)34-22-8-4-2-6-20(22)29/h1-13H,14-15H2,(H,27,28,30)

InChI Key

CKKMXTCSFMEPJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02127903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.09

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.413

Distribution Coefficient, logD

6.110

Water Solubility, LogSw

-5.97

Polar Surface Area

48.118

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

References: we are preparing a list of scientific research reports with 4477-2496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-2496?
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What is the minimum amount of 4477-2496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-2496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-2496
  • 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 4477-2496 available by request