Y207-5416 Screening compound: 6-amino-4-{4-[(2-chlorobenzyl)oxy]phenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide

Y207-5416 Screening compound: 6-amino-4-{4-[(2-chlorobenzyl)oxy]phenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide
Y207-5416 Screening compound: 6-amino-4-{4-[(2-chlorobenzyl)oxy]phenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y207-5416
6-amino-4-{4-[(2-chlorobenzyl)oxy]phenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-5-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

Y207-5416

Molecular Formula

C21H17ClN4O2 (C21 H17 ClN4 O2)

Compound Name

6-amino-4-{4-[(2-chlorobenzyl)oxy]phenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl cyanide

IUPAC name

6-amino-4-{4-[(2-chlorophenyl)methoxy]phenyl}-3-methyl-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

Cc1n[nH]c2c1C(c(cc1)ccc1OCc(cccc1)c1Cl)C(C#N)=C(N)O2

InChI

InChI=1S/C21H17ClN4O2/c1-12-18-19(16(10-23)20(24)28-21(18)26-25-12)13-6-8-15(9-7-13)27-11-14-4-2-3-5-17(14)22/h2-9,19H,11,24H2,1H3,(H,25,26)/t19-/m0/s1

InChI Key

AHBZFMUEPAOYLD-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.350

Distribution Coefficient, logD

3.350

Water Solubility, LogSw

-4.10

Polar Surface Area

77.779

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.29

Y207-5416 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 Y207-5416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y207-5416?
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What is the minimum amount of Y207-5416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y207-5416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y207-5416
  • 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 Y207-5416 available by request