V018-3067 Screening compound: 1-(4-ethoxyphenyl)-2-methyl-5-phenyl-N-[(pyridin-3-yl)methyl]-1H-pyrrole-3-carboxamide

V018-3067 Screening compound: 1-(4-ethoxyphenyl)-2-methyl-5-phenyl-N-[(pyridin-3-yl)methyl]-1H-pyrrole-3-carboxamide
V018-3067 Screening compound: 1-(4-ethoxyphenyl)-2-methyl-5-phenyl-N-[(pyridin-3-yl)methyl]-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-3067
1-(4-ethoxyphenyl)-2-methyl-5-phenyl-N-[(pyridin-3-yl)methyl]-1H-pyrrole-3-carboxamide

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

V018-3067

Molecular Formula

C26H25N3O2 (C26 H25 N3 O2)

Compound Name

1-(4-ethoxyphenyl)-2-methyl-5-phenyl-N-[(pyridin-3-yl)methyl]-1H-pyrrole-3-carboxamide

IUPAC name

1-(4-ethoxyphenyl)-2-methyl-5-phenyl-N-[(pyridin-3-yl)methyl]-1H-pyrrole-3-carboxamide

SMILES

CCOc(cc1)ccc1-n1c(-c2ccccc2)cc(C(NCc2cnccc2)=O)c1C

InChI

InChI=1S/C26H25N3O2/c1-3-31-23-13-11-22(12-14-23)29-19(2)24(16-25(29)21-9-5-4-6-10-21)26(30)28-18-20-8-7-15-27-17-20/h4-17H,3,18H2,1-2H3,(H,28,30)

InChI Key

FMKRSRCNJDFABH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13268060

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

411.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.747

Distribution Coefficient, logD

4.747

Water Solubility, LogSw

-4.21

Polar Surface Area

42.716

Acid Dissociation Constant (pKa)

13.96

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

V018-3067 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V018-3067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-3067?
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What is the minimum amount of V018-3067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-3067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-3067
  • 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 V018-3067 available by request