Y050-2451 Screening compound: 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-methoxy-N,N-dimethylbenzene-1-sulfonamide

Y050-2451 Screening compound: 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-methoxy-N,N-dimethylbenzene-1-sulfonamide
Y050-2451 Screening compound: 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-methoxy-N,N-dimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-2451
5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-methoxy-N,N-dimethylbenzene-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

Y050-2451

Molecular Formula

C22H27N3O6S (C22 H27 N3 O6 S)

Compound Name

5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-methoxy-N,N-dimethylbenzene-1-sulfonamide

IUPAC name

5-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-methoxy-NN-dimethylbenzene-1-sulfonamide

SMILES

CN(C)S(c(cc(cc1)C(N2CCN(Cc(cc3)cc4c3OCO4)CC2)=O)c1OC)(=O)=O

InChI

InChI=1S/C22H27N3O6S/c1-23(2)32(27,28)21-13-17(5-7-19(21)29-3)22(26)25-10-8-24(9-11-25)14-16-4-6-18-20(12-16)31-15-30-18/h4-7,12-13H,8-11,14-15H2,1-3H3

InChI Key

SXCCKUGOIXYDIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08684843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.499

Distribution Coefficient, logD

1.308

Water Solubility, LogSw

-2.51

Polar Surface Area

78.837

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with Y050-2451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-2451?
Check Price and Availability of Y050-2451, 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 Y050-2451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-2451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-2451
  • 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 Y050-2451 available by request