V013-3797 Screening compound: N-{4-[4-(2-fluorophenyl)piperazin-1-yl]-3-{[2-(morpholin-4-yl)ethyl]sulfamoyl}phenyl}-2-phenylacetamide

V013-3797 Screening compound: N-{4-[4-(2-fluorophenyl)piperazin-1-yl]-3-{[2-(morpholin-4-yl)ethyl]sulfamoyl}phenyl}-2-phenylacetamide
V013-3797 Screening compound: N-{4-[4-(2-fluorophenyl)piperazin-1-yl]-3-{[2-(morpholin-4-yl)ethyl]sulfamoyl}phenyl}-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-3797
N-{4-[4-(2-fluorophenyl)piperazin-1-yl]-3-{[2-(morpholin-4-yl)ethyl]sulfamoyl}phenyl}-2-phenylacetamide

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

V013-3797

Molecular Formula

C30H36FN5O4S (C30 H36 FN5 O4 S)

Compound Name

N-{4-[4-(2-fluorophenyl)piperazin-1-yl]-3-{[2-(morpholin-4-yl)ethyl]sulfamoyl}phenyl}-2-phenylacetamide

IUPAC name

N-{4-[4-(2-fluorophenyl)piperazin-1-yl]-3-{[2-(morpholin-4-yl)ethyl]sulfamoyl}phenyl}-2-phenylacetamide

SMILES

O=C(Cc1ccccc1)Nc(cc1)cc(S(NCCN2CCOCC2)(=O)=O)c1N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C30H36FN5O4S/c31-26-8-4-5-9-27(26)35-14-16-36(17-15-35)28-11-10-25(33-30(37)22-24-6-2-1-3-7-24)23-29(28)41(38,39)32-12-13-34-18-20-40-21-19-34/h1-11,23,32H,12-22H2,(H,33,37)

InChI Key

UDXOSOCOJKJYMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19972549

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

581.71

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.972

Distribution Coefficient, logD

3.963

Water Solubility, LogSw

-4.13

Polar Surface Area

82.718

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.70

V013-3797 in Drug Discovery

Included in Screening Libraries

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 V013-3797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-3797?
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What is the minimum amount of V013-3797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-3797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-3797
  • 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 V013-3797 available by request