V001-9536 Screening compound: 1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(2,5-difluorobenzenesulfonyl)piperazine

V001-9536 Screening compound: 1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(2,5-difluorobenzenesulfonyl)piperazine
V001-9536 Screening compound: 1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(2,5-difluorobenzenesulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-9536
1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(2,5-difluorobenzenesulfonyl)piperazine

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

V001-9536

Molecular Formula

C25H24F4N2O3S (C25 H24 F4 N2 O3 S)

Compound Name

1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(2,5-difluorobenzenesulfonyl)piperazine

IUPAC name

1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(25-difluorobenzenesulfonyl)piperazine

SMILES

O=S(c(cc(cc1)F)c1F)(N1CCN(CCOC(c(cc2)ccc2F)c(cc2)ccc2F)CC1)=O

InChI

InChI=1S/C25H24F4N2O3S/c26-20-5-1-18(2-6-20)25(19-3-7-21(27)8-4-19)34-16-15-30-11-13-31(14-12-30)35(32,33)24-17-22(28)9-10-23(24)29/h1-10,17,25H,11-16H2

InChI Key

FBHFAUJGNMHKQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19965169

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

508.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.572

Distribution Coefficient, logD

4.565

Water Solubility, LogSw

-4.37

Polar Surface Area

42.371

Acid Dissociation Constant (pKa)

22.76

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V001-9536 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V001-9536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-9536?
Check Price and Availability of V001-9536, 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 V001-9536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-9536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-9536
  • 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 V001-9536 available by request