Y200-4162 Screening compound: 6-amino-4-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-3-propyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

Y200-4162 Screening compound: 6-amino-4-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-3-propyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
Y200-4162 Screening compound: 6-amino-4-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-3-propyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-4162
6-amino-4-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-3-propyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

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

Y200-4162

Molecular Formula

C25H26N4O3 (C25 H26 N4 O3)

Compound Name

6-amino-4-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-3-propyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

IUPAC name

6-amino-4-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-3-propyl-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

CCCc1n[nH]c2c1C(c(cc1)cc(OC)c1OCc1ccc(C)cc1)C(C#N)=C(N)O2

InChI

InChI=1S/C25H26N4O3/c1-4-5-19-23-22(18(13-26)24(27)32-25(23)29-28-19)17-10-11-20(21(12-17)30-3)31-14-16-8-6-15(2)7-9-16/h6-12,22H,4-5,14,27H2,1-3H3,(H,28,29)/t22-/m1/s1

InChI Key

WVLAIXDKGLRYNE-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03342736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.126

Distribution Coefficient, logD

4.126

Water Solubility, LogSw

-4.63

Polar Surface Area

86.185

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

Y200-4162 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 Y200-4162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-4162?
Check Price and Availability of Y200-4162, 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 Y200-4162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-4162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-4162
  • 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 Y200-4162 available by request