Y020-2317 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-3-methyl-4-{[4-(propan-2-yl)phenyl]methyl}-1H-pyrazol-5-ol

Y020-2317 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-3-methyl-4-{[4-(propan-2-yl)phenyl]methyl}-1H-pyrazol-5-ol
Y020-2317 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-3-methyl-4-{[4-(propan-2-yl)phenyl]methyl}-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-2317
1-(1H-1,3-benzodiazol-2-yl)-3-methyl-4-{[4-(propan-2-yl)phenyl]methyl}-1H-pyrazol-5-ol

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

Y020-2317

Molecular Formula

C21H22N4O (C21 H22 N4 O)

Compound Name

1-(1H-1,3-benzodiazol-2-yl)-3-methyl-4-{[4-(propan-2-yl)phenyl]methyl}-1H-pyrazol-5-ol

IUPAC name

1-(1H-13-benzodiazol-2-yl)-3-methyl-4-{[4-(propan-2-yl)phenyl]methyl}-1H-pyrazol-5-ol

SMILES

CC(C)c1ccc(Cc(c(C)nn2-c3nc(cccc4)c4[nH]3)c2O)cc1

InChI

InChI=1S/C21H22N4O/c1-13(2)16-10-8-15(9-11-16)12-17-14(3)24-25(20(17)26)21-22-18-6-4-5-7-19(18)23-21/h4-11,13,26H,12H2,1-3H3,(H,22,23)

InChI Key

XUUSQXHHNMZMRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08547095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.323

Distribution Coefficient, logD

4.323

Water Solubility, LogSw

-4.30

Polar Surface Area

48.035

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

9.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

Y020-2317 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with Y020-2317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-2317?
Check Price and Availability of Y020-2317, 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 Y020-2317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-2317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-2317
  • 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 Y020-2317 available by request