V008-3412 Screening compound: 2-(benzyloxy)-N-(3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl)acetamide

V008-3412 Screening compound: 2-(benzyloxy)-N-(3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl)acetamide
V008-3412 Screening compound: 2-(benzyloxy)-N-(3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3412
2-(benzyloxy)-N-(3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl)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

V008-3412

Molecular Formula

C29H35N3O6S (C29 H35 N3 O6 S)

Compound Name

2-(benzyloxy)-N-(3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl)acetamide

IUPAC name

2-(benzyloxy)-N-(3-{[2-(34-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl)acetamide

SMILES

COc(ccc(CCNS(c(cc(cc1)NC(COCc2ccccc2)=O)c1N1CCCC1)(=O)=O)c1)c1OC

InChI

InChI=1S/C29H35N3O6S/c1-36-26-13-10-22(18-27(26)37-2)14-15-30-39(34,35)28-19-24(11-12-25(28)32-16-6-7-17-32)31-29(33)21-38-20-23-8-4-3-5-9-23/h3-5,8-13,18-19,30H,6-7,14-17,20-21H2,1-2H3,(H,31,33)

InChI Key

LEWXPRZGBKIWKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19972450

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

553.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.277

Distribution Coefficient, logD

4.275

Water Solubility, LogSw

-4.32

Polar Surface Area

91.929

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.48

V008-3412 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 V008-3412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3412?
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What is the minimum amount of V008-3412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3412
  • 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 V008-3412 available by request