V009-6819 Screening compound: N-[(3,4-dimethylphenyl)methyl]-3-[5-(4-methoxyphenyl)-1-[4-(methylsulfanyl)phenyl]-1H-pyrrol-2-yl]propanamide

V009-6819 Screening compound: N-[(3,4-dimethylphenyl)methyl]-3-[5-(4-methoxyphenyl)-1-[4-(methylsulfanyl)phenyl]-1H-pyrrol-2-yl]propanamide
V009-6819 Screening compound: N-[(3,4-dimethylphenyl)methyl]-3-[5-(4-methoxyphenyl)-1-[4-(methylsulfanyl)phenyl]-1H-pyrrol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-6819
N-[(3,4-dimethylphenyl)methyl]-3-[5-(4-methoxyphenyl)-1-[4-(methylsulfanyl)phenyl]-1H-pyrrol-2-yl]propanamide

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

V009-6819

Molecular Formula

C30H32N2O2S (C30 H32 N2 O2 S)

Compound Name

N-[(3,4-dimethylphenyl)methyl]-3-[5-(4-methoxyphenyl)-1-[4-(methylsulfanyl)phenyl]-1H-pyrrol-2-yl]propanamide

IUPAC name

N-[(34-dimethylphenyl)methyl]-3-[5-(4-methoxyphenyl)-1-[4-(methylsulfanyl)phenyl]-1H-pyrrol-2-yl]propanamide

SMILES

Cc1c(C)cc(CNC(CCc2ccc(-c(cc3)ccc3OC)n2-c(cc2)ccc2SC)=O)cc1

InChI

InChI=1S/C30H32N2O2S/c1-21-5-6-23(19-22(21)2)20-31-30(33)18-12-26-11-17-29(24-7-13-27(34-3)14-8-24)32(26)25-9-15-28(35-4)16-10-25/h5-11,13-17,19H,12,18,20H2,1-4H3,(H,31,33)

InChI Key

LBBNBHZKRAWOFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19961772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.216

Distribution Coefficient, logD

7.216

Water Solubility, LogSw

-5.60

Polar Surface Area

33.139

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.33

References: we are preparing a list of scientific research reports with V009-6819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-6819?
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What is the minimum amount of V009-6819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-6819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-6819
  • 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 V009-6819 available by request