Y501-5243 Screening compound: 2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-yl cyanide

Y501-5243 Screening compound: 2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-yl cyanide
Y501-5243 Screening compound: 2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-5243
2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-yl cyanide

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

Y501-5243

Molecular Formula

C26H26ClN3S (C26 H26 ClN3 S)

Compound Name

2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-yl cyanide

IUPAC name

2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-24-dimethylphenyl)-5H6H7H8H9H-cyclohepta[b]pyridine-3-carbonitrile

SMILES

Cc(cc1C)c(CSc(cc2)ccc2Cl)cc1-c(c(CCCCC1)c1nc1N)c1C#N

InChI

InChI=1S/C26H26ClN3S/c1-16-12-17(2)22(13-18(16)15-31-20-10-8-19(27)9-11-20)25-21-6-4-3-5-7-24(21)30-26(29)23(25)14-28/h8-13H,3-7,15H2,1-2H3,(H2,29,30)

InChI Key

RWDLYWLDZXGHKU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.03

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.442

Distribution Coefficient, logD

7.440

Water Solubility, LogSw

-6.84

Polar Surface Area

47.816

Acid Dissociation Constant (pKa)

19.66

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

References: we are preparing a list of scientific research reports with Y501-5243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-5243?
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What is the minimum amount of Y501-5243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-5243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-5243
  • 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 Y501-5243 available by request