G416-0314 Screening compound: N-(5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}pyridin-3-yl)-4-methoxybenzene-1-sulfonamide

G416-0314 Screening compound: N-(5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}pyridin-3-yl)-4-methoxybenzene-1-sulfonamide
G416-0314 Screening compound: N-(5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}pyridin-3-yl)-4-methoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G416-0314
N-(5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}pyridin-3-yl)-4-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

G416-0314

Molecular Formula

C25H26N4O6S (C25 H26 N4 O6 S)

Compound Name

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

IUPAC name

N-(5-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}pyridin-3-yl)-4-methoxybenzene-1-sulfonamide

SMILES

COc(cc1)ccc1S(Nc1cncc(C(N2CCN(Cc(cc3)cc4c3OCO4)CC2)=O)c1)(=O)=O

InChI

InChI=1S/C25H26N4O6S/c1-33-21-3-5-22(6-4-21)36(31,32)27-20-13-19(14-26-15-20)25(30)29-10-8-28(9-11-29)16-18-2-7-23-24(12-18)35-17-34-23/h2-7,12-15,27H,8-11,16-17H2,1H3

InChI Key

IBYWIOLESRQPNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15011544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.463

Distribution Coefficient, logD

2.270

Water Solubility, LogSw

-2.83

Polar Surface Area

95.343

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

G416-0314 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with G416-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G416-0314?
Check Price and Availability of G416-0314, 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 G416-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G416-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G416-0314
  • 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 G416-0314 available by request