Y502-7620 Screening compound: N~3~-[4-chloro-1-(4-chlorobenzyl)-1H-pyrazol-3-yl]-1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxamide

Y502-7620 Screening compound: N~3~-[4-chloro-1-(4-chlorobenzyl)-1H-pyrazol-3-yl]-1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxamide
Y502-7620 Screening compound: N~3~-[4-chloro-1-(4-chlorobenzyl)-1H-pyrazol-3-yl]-1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-7620
N~3~-[4-chloro-1-(4-chlorobenzyl)-1H-pyrazol-3-yl]-1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxamide

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

Y502-7620

Molecular Formula

C20H22Cl2N6O3S (C20 H22 Cl2 N6 O3 S)

Compound Name

N~3~-[4-chloro-1-(4-chlorobenzyl)-1H-pyrazol-3-yl]-1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxamide

IUPAC name

N-{4-chloro-1-[(4-chlorophenyl)methyl]-1H-pyrazol-3-yl}-1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide

SMILES

Cn1ncc(S(N(CCC2)CC2C(Nc2nn(Cc(cc3)ccc3Cl)cc2Cl)=O)(=O)=O)c1

InChI

InChI=1S/C20H22Cl2N6O3S/c1-26-12-17(9-23-26)32(30,31)28-8-2-3-15(11-28)20(29)24-19-18(22)13-27(25-19)10-14-4-6-16(21)7-5-14/h4-7,9,12-13,15H,2-3,8,10-11H2,1H3,(H,24,25,29)/t15-/m0/s1

InChI Key

GXQPVNGVMKAYRH-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.900

Distribution Coefficient, logD

1.339

Water Solubility, LogSw

-2.92

Polar Surface Area

84.704

Acid Dissociation Constant (pKa)

6.98

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

Y502-7620 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 Y502-7620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-7620?
Check Price and Availability of Y502-7620, 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 Y502-7620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-7620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-7620
  • 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 Y502-7620 available by request