V031-0800 Screening compound: 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrrol-2-yl]-N-(2-phenoxyethyl)propanamide

V031-0800 Screening compound: 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrrol-2-yl]-N-(2-phenoxyethyl)propanamide
V031-0800 Screening compound: 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrrol-2-yl]-N-(2-phenoxyethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0800
3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrrol-2-yl]-N-(2-phenoxyethyl)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

V031-0800

Molecular Formula

C28H27ClN2O3 (C28 H27 ClN2 O3)

Compound Name

3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrrol-2-yl]-N-(2-phenoxyethyl)propanamide

IUPAC name

3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrrol-2-yl]-N-(2-phenoxyethyl)propanamide

SMILES

COc(cc1)ccc1-n1c(-c(cc2)ccc2Cl)ccc1CCC(NCCOc1ccccc1)=O

InChI

InChI=1S/C28H27ClN2O3/c1-33-25-15-11-23(12-16-25)31-24(13-17-27(31)21-7-9-22(29)10-8-21)14-18-28(32)30-19-20-34-26-5-3-2-4-6-26/h2-13,15-17H,14,18-20H2,1H3,(H,30,32)

InChI Key

PWJUEPROSLBOIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19961790

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

474.99

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

6.276

Distribution Coefficient, logD

6.276

Water Solubility, LogSw

-6.26

Polar Surface Area

40.398

Acid Dissociation Constant (pKa)

14.44

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

V031-0800 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V031-0800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0800?
Check Price and Availability of V031-0800, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V031-0800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0800
  • 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 V031-0800 available by request