Y050-2425 Screening compound: N-benzyl-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxybenzene-1-sulfonamide

Y050-2425 Screening compound: N-benzyl-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxybenzene-1-sulfonamide
Y050-2425 Screening compound: N-benzyl-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-2425
N-benzyl-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxybenzene-1-sulfonamide

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

Y050-2425

Molecular Formula

C27H31N3O4S (C27 H31 N3 O4 S)

Compound Name

N-benzyl-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxybenzene-1-sulfonamide

IUPAC name

N-benzyl-5-[4-(23-dimethylphenyl)piperazine-1-carbonyl]-2-methoxybenzene-1-sulfonamide

SMILES

Cc1cccc(N(CC2)CCN2C(c(cc2)cc(S(NCc3ccccc3)(=O)=O)c2OC)=O)c1C

InChI

InChI=1S/C27H31N3O4S/c1-20-8-7-11-24(21(20)2)29-14-16-30(17-15-29)27(31)23-12-13-25(34-3)26(18-23)35(32,33)28-19-22-9-5-4-6-10-22/h4-13,18,28H,14-17,19H2,1-3H3

InChI Key

ZVERGASSLRCNPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08684430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.433

Distribution Coefficient, logD

4.432

Water Solubility, LogSw

-4.30

Polar Surface Area

69.235

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

Y050-2425 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y050-2425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-2425?
Check Price and Availability of Y050-2425, 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 Y050-2425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-2425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-2425
  • 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 Y050-2425 available by request