V010-9295 Screening compound: N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]benzene-1-sulfonamide

V010-9295 Screening compound: N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]benzene-1-sulfonamide
V010-9295 Screening compound: N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9295
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]benzene-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

V010-9295

Molecular Formula

C25H27FN4O7S2 (C25 H27 FN4 O7 S2)

Compound Name

N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]benzene-1-sulfonamide

IUPAC name

N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]benzene-1-sulfonamide

SMILES

COc(ccc(S(NCCc(cc1)ccc1F)(=O)=O)c1)c1N(CC1)CCN1S(c1cc([N+]([O-])=O)ccc1)(=O)=O

InChI

InChI=1S/C25H27FN4O7S2/c1-37-25-10-9-22(38(33,34)27-12-11-19-5-7-20(26)8-6-19)18-24(25)28-13-15-29(16-14-28)39(35,36)23-4-2-3-21(17-23)30(31)32/h2-10,17-18,27H,11-16H2,1H3

InChI Key

CYOJVEIOMYQZKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950880

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

578.64

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.102

Distribution Coefficient, logD

4.102

Water Solubility, LogSw

-4.28

Polar Surface Area

117.521

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V010-9295 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 V010-9295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9295?
Check Price and Availability of V010-9295, 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 V010-9295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9295
  • 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 V010-9295 available by request