5594-2217 Screening compound: 1-(9H-carbazol-9-yl)-2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]ethan-1-one

5594-2217 Screening compound: 1-(9H-carbazol-9-yl)-2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]ethan-1-one
5594-2217 Screening compound: 1-(9H-carbazol-9-yl)-2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-2217
1-(9H-carbazol-9-yl)-2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]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

5594-2217

Molecular Formula

C25H18ClN3O2S2 (C25 H18 ClN3 O2 S2)

Compound Name

1-(9H-carbazol-9-yl)-2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]ethan-1-one

IUPAC name

1-(9H-carbazol-9-yl)-2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]ethan-1-one

SMILES

Oc1cc(CSc(cc2)ccc2Cl)nc(SCC(n2c(cccc3)c3c3c2cccc3)=O)n1

InChI

InChI=1S/C25H18ClN3O2S2/c26-16-9-11-18(12-10-16)32-14-17-13-23(30)28-25(27-17)33-15-24(31)29-21-7-3-1-5-19(21)20-6-2-4-8-22(20)29/h1-13H,14-15H2,(H,27,28,30)

InChI Key

NVJIRZRNKJLKSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02127900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.410

Distribution Coefficient, logD

6.107

Water Solubility, LogSw

-6.04

Polar Surface Area

49.130

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

5594-2217 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5594-2217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-2217?
Check Price and Availability of 5594-2217, 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 5594-2217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-2217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-2217
  • 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 5594-2217 available by request