V001-4655 Screening compound: 1-[(3-fluorophenyl)methyl]-3-[1-(2-methanesulfonylbenzenesulfonyl)piperidin-4-yl]-1H-indole

V001-4655 Screening compound: 1-[(3-fluorophenyl)methyl]-3-[1-(2-methanesulfonylbenzenesulfonyl)piperidin-4-yl]-1H-indole
V001-4655 Screening compound: 1-[(3-fluorophenyl)methyl]-3-[1-(2-methanesulfonylbenzenesulfonyl)piperidin-4-yl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-4655
1-[(3-fluorophenyl)methyl]-3-[1-(2-methanesulfonylbenzenesulfonyl)piperidin-4-yl]-1H-indole

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

V001-4655

Molecular Formula

C27H27FN2O4S2 (C27 H27 FN2 O4 S2)

Compound Name

1-[(3-fluorophenyl)methyl]-3-[1-(2-methanesulfonylbenzenesulfonyl)piperidin-4-yl]-1H-indole

IUPAC name

1-[(3-fluorophenyl)methyl]-3-[1-(2-methanesulfonylbenzenesulfonyl)piperidin-4-yl]-1H-indole

SMILES

CS(c(cccc1)c1S(N(CC1)CCC1c1cn(Cc2cc(F)ccc2)c2c1cccc2)(=O)=O)(=O)=O

InChI

InChI=1S/C27H27FN2O4S2/c1-35(31,32)26-11-4-5-12-27(26)36(33,34)30-15-13-21(14-16-30)24-19-29(25-10-3-2-9-23(24)25)18-20-7-6-8-22(28)17-20/h2-12,17,19,21H,13-16,18H2,1H3

InChI Key

YFJPAJCPYAUVGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19952198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.033

Distribution Coefficient, logD

4.033

Water Solubility, LogSw

-4.02

Polar Surface Area

63.159

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

-4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

V001-4655 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V001-4655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-4655?
Check Price and Availability of V001-4655, 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 V001-4655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-4655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-4655
  • 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 V001-4655 available by request