V029-2411 Screening compound: 2-(N-cyclopropyl4-methylbenzenesulfonamido)-N-[(4-fluorophenyl)methyl]-N-(1-phenylmethanesulfonylpiperidin-4-yl)acetamide

V029-2411 Screening compound: 2-(N-cyclopropyl4-methylbenzenesulfonamido)-N-[(4-fluorophenyl)methyl]-N-(1-phenylmethanesulfonylpiperidin-4-yl)acetamide
V029-2411 Screening compound: 2-(N-cyclopropyl4-methylbenzenesulfonamido)-N-[(4-fluorophenyl)methyl]-N-(1-phenylmethanesulfonylpiperidin-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-2411
2-(N-cyclopropyl4-methylbenzenesulfonamido)-N-[(4-fluorophenyl)methyl]-N-(1-phenylmethanesulfonylpiperidin-4-yl)acetamide

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

V029-2411

Molecular Formula

C31H36FN3O5S2 (C31 H36 FN3 O5 S2)

Compound Name

2-(N-cyclopropyl4-methylbenzenesulfonamido)-N-[(4-fluorophenyl)methyl]-N-(1-phenylmethanesulfonylpiperidin-4-yl)acetamide

IUPAC name

2-(N-cyclopropyl4-methylbenzenesulfonamido)-N-[(4-fluorophenyl)methyl]-N-(1-phenylmethanesulfonylpiperidin-4-yl)acetamide

SMILES

Cc(cc1)ccc1S(N(CC(N(Cc(cc1)ccc1F)C(CC1)CCN1S(Cc1ccccc1)(=O)=O)=O)C1CC1)(=O)=O

InChI

InChI=1S/C31H36FN3O5S2/c1-24-7-15-30(16-8-24)42(39,40)35(29-13-14-29)22-31(36)34(21-25-9-11-27(32)12-10-25)28-17-19-33(20-18-28)41(37,38)23-26-5-3-2-4-6-26/h2-12,15-16,28-29H,13-14,17-23H2,1H3

InChI Key

KPIYROGMQAKIMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19970644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

613.77

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.699

Distribution Coefficient, logD

4.699

Water Solubility, LogSw

-4.37

Polar Surface Area

78.298

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.70

V029-2411 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V029-2411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-2411?
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What is the minimum amount of V029-2411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-2411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-2411
  • 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 V029-2411 available by request