Y500-6721 Screening compound: 2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-3-yl cyanide

Y500-6721 Screening compound: 2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-3-yl cyanide
Y500-6721 Screening compound: 2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-6721
2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-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

Y500-6721

Molecular Formula

C26H25ClN2O4 (C26 H25 ClN2 O4)

Compound Name

2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-3-yl cyanide

IUPAC name

2-amino-4-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-77-dimethyl-5-oxo-5678-tetrahydro-4H-chromene-3-carbonitrile

SMILES

CC(C)(C1)CC(OC(N)=C(C2c(cc3)cc(OC)c3OCc(cccc3)c3Cl)C#N)=C2C1=O

InChI

InChI=1S/C26H25ClN2O4/c1-26(2)11-19(30)24-22(12-26)33-25(29)17(13-28)23(24)15-8-9-20(21(10-15)31-3)32-14-16-6-4-5-7-18(16)27/h4-10,23H,11-12,14,29H2,1-3H3/t23-/m1/s1

InChI Key

WGKYBYRSEBQIFJ-HSZRJFAPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.032

Distribution Coefficient, logD

4.032

Water Solubility, LogSw

-4.58

Polar Surface Area

74.547

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.77

References: we are preparing a list of scientific research reports with Y500-6721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-6721?
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What is the minimum amount of Y500-6721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-6721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-6721
  • 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 Y500-6721 available by request