Y501-5407 Screening compound: N-[4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-1-[(5-phenyl-2H-1,2,3,4-tetraazol-2-yl)methyl]-1H-pyrazole-3-carboxamide

Y501-5407 Screening compound: N-[4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-1-[(5-phenyl-2H-1,2,3,4-tetraazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
Y501-5407 Screening compound: N-[4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-1-[(5-phenyl-2H-1,2,3,4-tetraazol-2-yl)methyl]-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-5407
N-[4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-1-[(5-phenyl-2H-1,2,3,4-tetraazol-2-yl)methyl]-1H-pyrazole-3-carboxamide

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

Y501-5407

Molecular Formula

C23H20ClN9O (C23 H20 ClN9 O)

Compound Name

N-[4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-1-[(5-phenyl-2H-1,2,3,4-tetraazol-2-yl)methyl]-1H-pyrazole-3-carboxamide

IUPAC name

N-[4-(4-chloro-35-dimethyl-1H-pyrazol-1-yl)phenyl]-1-[(5-phenyl-2H-1234-tetrazol-2-yl)methyl]-1H-pyrazole-3-carboxamide

SMILES

Cc(n(-c(cc1)ccc1NC(c1nn(Cn2nnc(-c3ccccc3)n2)cc1)=O)nc1C)c1Cl

InChI

InChI=1S/C23H20ClN9O/c1-15-21(24)16(2)33(27-15)19-10-8-18(9-11-19)25-23(34)20-12-13-31(28-20)14-32-29-22(26-30-32)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,25,34)

InChI Key

BHMZAPQXKCFBHW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.475

Distribution Coefficient, logD

3.475

Water Solubility, LogSw

-4.19

Polar Surface Area

91.933

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.04

Y501-5407 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y501-5407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-5407?
Check Price and Availability of Y501-5407, 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 Y501-5407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-5407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-5407
  • 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 Y501-5407 available by request