V008-4103 Screening compound: 3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(2-methoxyphenyl)methyl]propanamide

V008-4103 Screening compound: 3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(2-methoxyphenyl)methyl]propanamide
V008-4103 Screening compound: 3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(2-methoxyphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4103
3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(2-methoxyphenyl)methyl]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

V008-4103

Molecular Formula

C31H31N3O2 (C31 H31 N3 O2)

Compound Name

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

IUPAC name

3-{1-[4-(cyanomethyl)phenyl]-5-(24-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(2-methoxyphenyl)methyl]propanamide

SMILES

Cc(cc1)cc(C)c1-c1ccc(CCC(NCc(cccc2)c2OC)=O)n1-c1ccc(CC#N)cc1

InChI

InChI=1S/C31H31N3O2/c1-22-8-15-28(23(2)20-22)29-16-13-27(34(29)26-11-9-24(10-12-26)18-19-32)14-17-31(35)33-21-25-6-4-5-7-30(25)36-3/h4-13,15-16,20H,14,17-18,21H2,1-3H3,(H,33,35)

InChI Key

SCVSTEGXMOQJMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19961854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.842

Distribution Coefficient, logD

5.842

Water Solubility, LogSw

-5.44

Polar Surface Area

50.718

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.60

References: we are preparing a list of scientific research reports with V008-4103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4103?
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What is the minimum amount of V008-4103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4103
  • 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 V008-4103 available by request